name	mz	rt	intensity	label	charge	oligomer	isotope_labels_a	isotope_ids	isotope_labels_b	atoms	exact_mass	ppm_error	adduct	C	H	N	O	P	S	molecular_formula	compound_name	compound_id
M127T60	126.979204	60.0	1421.775								126.97908600000001	-0.9292868904907359	[M+H]+	1.0	3.0	0.0	5.0	1.0	0.0	CH3O5P	Formyl phosphate	1969
M127T60	126.979204	60.0	1421.775								126.97908600000001	-0.9292868904907359	[M+H]+	1.0	3.0	0.0	5.0	1.0	0.0	CH3O5P	Foscarnet	HMDB0014670
M127T60	126.979204	60.0	1421.775								126.97908600000001	-0.9292868904907359	[M+H]+	1.0	3.0	0.0	5.0	1.0	0.0	CH3O5P	Phosphonoformate	4022
M127T60	126.979204	60.0	1421.775								126.97920199999999	-0.01575061094777821	[M+K]+	3.0	4.0	0.0	3.0	0.0	0.0	C3H4O3	2-hydroxyacrylic Acid	HMDB0062676
M127T60	126.979204	60.0	1421.775								126.97920199999999	-0.01575061094777821	[M+K]+	3.0	4.0	0.0	3.0	0.0	0.0	C3H4O3	3-Hydroxypropenoate	8947
M127T60	126.979204	60.0	1421.775								126.97920199999999	-0.01575061094777821	[M+K]+	3.0	4.0	0.0	3.0	0.0	0.0	C3H4O3	3-Oxopropanoate	721
M127T60	126.979204	60.0	1421.775								126.97920199999999	-0.01575061094777821	[M+K]+	3.0	4.0	0.0	3.0	0.0	0.0	C3H4O3	Glucosereductone	HMDB0040261
M127T60	126.979204	60.0	1421.775								126.97920199999999	-0.01575061094777821	[M+K]+	3.0	4.0	0.0	3.0	0.0	0.0	C3H4O3	Malonic semialdehyde	HMDB0011111
M127T60	126.979204	60.0	1421.775								126.97920199999999	-0.01575061094777821	[M+K]+	3.0	4.0	0.0	3.0	0.0	0.0	C3H4O3	Pyruvate	578
M127T60	126.979204	60.0	1421.775								126.97920199999999	-0.01575061094777821	[M+K]+	3.0	4.0	0.0	3.0	0.0	0.0	C3H4O3	Pyruvic acid	HMDB0000243
M135T70	135.028801	70.0	2581.91								135.028799	-0.01481165506737926	[M+H]+	4.0	6.0	0.0	5.0	0.0	0.0	C4H6O5	3-Dehydro-L-threonate	2300
M135T70	135.028801	70.0	2581.91								135.028799	-0.01481165506737926	[M+H]+	4.0	6.0	0.0	5.0	0.0	0.0	C4H6O5	D-Malic acid	HMDB0031518
M135T70	135.028801	70.0	2581.91								135.028799	-0.01481165506737926	[M+H]+	4.0	6.0	0.0	5.0	0.0	0.0	C4H6O5	L-Malic acid	HMDB0000156
M135T70	135.028801	70.0	2581.91								135.028799	-0.01481165506737926	[M+H]+	4.0	6.0	0.0	5.0	0.0	0.0	C4H6O5	Malate	1018
M135T70	135.028801	70.0	2581.91								135.028799	-0.01481165506737926	[M+H]+	4.0	6.0	0.0	5.0	0.0	0.0	C4H6O5	Malic acid	HMDB0000744
M135T70	135.028801	70.0	2581.91								135.028799	-0.01481165506737926	[M+H]+	4.0	6.0	0.0	5.0	0.0	0.0	C4H6O5	Velcorin	HMDB0032872
M139T80	139.000181	80.0	3870.3								139.00018	-0.007194235269876936	[M+Na]+	4.0	4.0	0.0	4.0	0.0	0.0	C4H4O4	Formylpyruvate	1832
M139T80	139.000181	80.0	3870.3								139.00018	-0.007194235269876936	[M+Na]+	4.0	4.0	0.0	4.0	0.0	0.0	C4H4O4	Fumarate	652
M139T80	139.000181	80.0	3870.3								139.00018	-0.007194235269876936	[M+Na]+	4.0	4.0	0.0	4.0	0.0	0.0	C4H4O4	Fumaric acid	HMDB0000134
M139T80	139.000181	80.0	3870.3								139.00018	-0.007194235269876936	[M+Na]+	4.0	4.0	0.0	4.0	0.0	0.0	C4H4O4	Maleic acid	1414
M139T80	139.000181	80.0	3870.3								139.00018	-0.007194235269876936	[M+Na]+	4.0	4.0	0.0	4.0	0.0	0.0	C4H4O4	Maleic acid	HMDB0000176
M147T90	147.028801	90.0	2334.12								147.028799	-0.013602777201155575	[M+H]+	5.0	6.0	0.0	5.0	0.0	0.0	C5H6O5	2-Oxoglutarate	582
M147T90	147.028801	90.0	2334.12								147.028799	-0.013602777201155575	[M+H]+	5.0	6.0	0.0	5.0	0.0	0.0	C5H6O5	3-Oxoglutaric acid	HMDB0013701
M147T90	147.028801	90.0	2334.12								147.028799	-0.013602777201155575	[M+H]+	5.0	6.0	0.0	5.0	0.0	0.0	C5H6O5	D-erythro-Ascorbate	239
M147T90	147.028801	90.0	2334.12								147.028799	-0.013602777201155575	[M+H]+	5.0	6.0	0.0	5.0	0.0	0.0	C5H6O5	Dehydro-D-arabinono-1,4-lactone	3919
M147T90	147.028801	90.0	2334.12								147.028799	-0.013602777201155575	[M+H]+	5.0	6.0	0.0	5.0	0.0	0.0	C5H6O5	Methyloxaloacetate	3778
M147T90	147.028801	90.0	2334.12								147.028799	-0.013602777201155575	[M+H]+	5.0	6.0	0.0	5.0	0.0	0.0	C5H6O5	Oxaloacetate 4-methyl ester	2636
M147T90	147.028801	90.0	2334.12								147.028799	-0.013602777201155575	[M+H]+	5.0	6.0	0.0	5.0	0.0	0.0	C5H6O5	Oxoglutaric acid	HMDB0000208
M155T100	154.995096	100.0	2341.5								154.995094	-0.012903634194708677	[M+Na]+	4.0	4.0	0.0	5.0	0.0	0.0	C4H4O5	2-Hydroxyethylenedicarboxylate	2770
M155T100	154.995096	100.0	2341.5								154.995094	-0.012903634194708677	[M+Na]+	4.0	4.0	0.0	5.0	0.0	0.0	C4H4O5	Oxalacetic acid	HMDB0000223
M155T100	154.995096	100.0	2341.5								154.995094	-0.012903634194708677	[M+Na]+	4.0	4.0	0.0	5.0	0.0	0.0	C4H4O5	Oxaloacetate	589
M155T100	154.995096	100.0	2341.5								154.995094	-0.012903634194708677	[M+Na]+	4.0	4.0	0.0	5.0	0.0	0.0	C4H4O5	enol-oxaloacetate	19221
M155T100	154.995096	100.0	2341.5								154.995094	-0.012903634194708677	[M+Na]+	4.0	4.0	0.0	5.0	0.0	0.0	C4H4O5	trans-2,3-Epoxysuccinate	2551
M157T110	156.989769	110.0	1417.22								156.98965099999998	-0.7516419029093673	[M+H]+	2.0	5.0	0.0	6.0	1.0	0.0	C2H5O6P	2-Phosphoglycolate	1183
M157T110	156.989769	110.0	1417.22								156.98965099999998	-0.7516419029093673	[M+H]+	2.0	5.0	0.0	6.0	1.0	0.0	C2H5O6P	Phosphoglycolic acid	HMDB0000816
M157T110	156.989769	110.0	1417.22								156.989767	-0.012739683822516187	[M+K]+	4.0	6.0	0.0	4.0	0.0	0.0	C4H6O4	3-methoxy-3-oxopropanoic acid	HMDB0130020
M157T110	156.989769	110.0	1417.22								156.989767	-0.012739683822516187	[M+K]+	4.0	6.0	0.0	4.0	0.0	0.0	C4H6O4	4-Hydroxy-2-oxobutanoic acid	HMDB0031204
M157T110	156.989769	110.0	1417.22								156.989767	-0.012739683822516187	[M+K]+	4.0	6.0	0.0	4.0	0.0	0.0	C4H6O4	D,L-malic semialdehyde	18220
M157T110	156.989769	110.0	1417.22								156.989767	-0.012739683822516187	[M+K]+	4.0	6.0	0.0	4.0	0.0	0.0	C4H6O4	Erythrono-1,4-lactone	11996
M157T110	156.989769	110.0	1417.22								156.989767	-0.012739683822516187	[M+K]+	4.0	6.0	0.0	4.0	0.0	0.0	C4H6O4	Erythrono-1,4-lactone	HMDB0000349
M157T110	156.989769	110.0	1417.22								156.989767	-0.012739683822516187	[M+K]+	4.0	6.0	0.0	4.0	0.0	0.0	C4H6O4	Methyl oxalate	7890
M157T110	156.989769	110.0	1417.22								156.989767	-0.012739683822516187	[M+K]+	4.0	6.0	0.0	4.0	0.0	0.0	C4H6O4	Methylmalonate	1845
M157T110	156.989769	110.0	1417.22								156.989767	-0.012739683822516187	[M+K]+	4.0	6.0	0.0	4.0	0.0	0.0	C4H6O4	Methylmalonic acid	HMDB0000202
M157T110	156.989769	110.0	1417.22								156.989767	-0.012739683822516187	[M+K]+	4.0	6.0	0.0	4.0	0.0	0.0	C4H6O4	Succinate	592
M157T110	156.989769	110.0	1417.22								156.989767	-0.012739683822516187	[M+K]+	4.0	6.0	0.0	4.0	0.0	0.0	C4H6O4	Succinic acid	HMDB0000254
M157T110	156.989769	110.0	1417.22								156.989767	-0.012739683822516187	[M+K]+	4.0	6.0	0.0	4.0	0.0	0.0	C4H6O4	Threonolactone	HMDB0000940
M157T110	156.989769	110.0	1417.22								156.989767	-0.012739683822516187	[M+K]+	4.0	6.0	0.0	4.0	0.0	0.0	C4H6O4	xi-3-Hydroxy-2-oxobutanoic acid	HMDB0039324
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	(E)-Glutaconate	1867
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	2,5-Dioxopentanoate	851
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	2,5-Dioxopentanoate	HMDB0060365
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	2-Hydroxyglutaric acid lactone	HMDB0059743
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	2-Methylmaleate	1876
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	2-Pentendioate	HMDB0061185
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	4,5-Dioxopentanoate	2163
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	Acetylpyruvate	1822
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	Citraconic acid	HMDB0000634
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	Gamma-delta-Dioxovaleric acid	HMDB0013233
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	Glutaconic acid	HMDB0000620
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	Itaconate	887
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	Itaconic acid	HMDB0002092
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	Mesaconate	1600
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	Mesaconic acid	HMDB0000749
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	Methyl hydrogen fumarate	HMDB0033809
M169T120	168.989654	120.0	520.0								168.989767	0.6686795419921463	[M+K]+	5.0	6.0	0.0	4.0	0.0	0.0	C5H6O4	glutaconate	19243
M169T120	168.989654	120.0	520.0	[M+H]+	1.0	1.0					168.98965099999998	-0.017752566521647164	[M+H]+	3.0	5.0	0.0	6.0	1.0	0.0	C3H5O6P	3-Phosphonopyruvate	2162
M169T120	168.989654	120.0	520.0	[M+H]+	1.0	1.0					168.98965099999998	-0.017752566521647164	[M+H]+	3.0	5.0	0.0	6.0	1.0	0.0	C3H5O6P	Phosphoenolpyruvate	614
M169T120	168.989654	120.0	520.0	[M+H]+	1.0	1.0					168.98965099999998	-0.017752566521647164	[M+H]+	3.0	5.0	0.0	6.0	1.0	0.0	C3H5O6P	Phosphoenolpyruvic acid	HMDB0000263
M337T121	336.972032	121.0	1040.0																			
M337T121	336.972032	121.0	1040.0	[2M+H]+	1.0	2.0																
M505T122	504.95441	122.5	390.0																			
M505T122	504.95441	122.5	390.0	[3M+H]+	1.0	3.0																
M197T150	197.005661	150.0	5112.38								197.00565899999998	-0.010151992757589745	[M+Na]+	6.0	6.0	0.0	6.0	0.0	0.0	C6H6O6	Aconitate Ion	38282
M197T150	197.005661	150.0	5112.38								197.00565899999998	-0.010151992757589745	[M+Na]+	6.0	6.0	0.0	6.0	0.0	0.0	C6H6O6	Dehydroascorbic acid	12423
M197T150	197.005661	150.0	5112.38								197.00565899999998	-0.010151992757589745	[M+Na]+	6.0	6.0	0.0	6.0	0.0	0.0	C6H6O6	Dehydroascorbic acid	HMDB0001264
M197T150	197.005661	150.0	5112.38								197.00565899999998	-0.010151992757589745	[M+Na]+	6.0	6.0	0.0	6.0	0.0	0.0	C6H6O6	Dehydroascorbide(1-)	HMDB0062706
M197T150	197.005661	150.0	5112.38								197.00565899999998	-0.010151992757589745	[M+Na]+	6.0	6.0	0.0	6.0	0.0	0.0	C6H6O6	cis-Aconitate	843
M197T150	197.005661	150.0	5112.38								197.00565899999998	-0.010151992757589745	[M+Na]+	6.0	6.0	0.0	6.0	0.0	0.0	C6H6O6	cis-Aconitic acid	HMDB0000072
M197T150	197.005661	150.0	5112.38								197.00565899999998	-0.010151992757589745	[M+Na]+	6.0	6.0	0.0	6.0	0.0	0.0	C6H6O6	trans-Aconitate	1934
M197T150	197.005661	150.0	5112.38								197.00565899999998	-0.010151992757589745	[M+Na]+	6.0	6.0	0.0	6.0	0.0	0.0	C6H6O6	trans-Aconitic acid	HMDB0000958
M213T160	213.000576	160.0	1018.075								213.00057400000003	-0.009389645900807648	[M+Na]+	6.0	6.0	0.0	7.0	0.0	0.0	C6H6O7	4-Hydroxy-Aconitate Ion	41990
M213T160	213.000576	160.0	1018.075								213.00057400000003	-0.009389645900807648	[M+Na]+	6.0	6.0	0.0	7.0	0.0	0.0	C6H6O7	Oxalosuccinate	3402
M213T160	213.000576	160.0	1018.075								213.00057400000003	-0.009389645900807648	[M+Na]+	6.0	6.0	0.0	7.0	0.0	0.0	C6H6O7	Oxalosuccinic acid	HMDB0003974
M215T170	215.016226	170.0	3859.8																			
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	(1R,2R)-Isocitric acid	HMDB0033717
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate	863
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	(1S,2S)-1-Hydroxypropane-1,2,3-tricarboxylate	3090
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate	3064
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2,3-Dihydroxy-5-Oxo-Hexanedioate	37494
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2,3-Diketo-L-gulonate	HMDB0006511
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2,3-Dioxo-L-gulonate	13506
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2,3-diketo-L-gulonate	20293
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2,3-diketogulonate	HMDB0062803
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2,5-Didehydro-D-gluconate	2148
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2-Dehydro-3-deoxy-D-glucarate	2740
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	4,5-Dehydro-D-Glucuronic Acid	36800
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	5-Dehydro-4-deoxy-D-glucarate	1000
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	5-keto-4-deoxy-D-glucarate	20308
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	Carboxymethyloxysuccinate	2580
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	Citrate	675
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	Citric acid	HMDB0000094
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	D-Glucaro-1,4-lactone	HMDB0041862
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	D-threo-Isocitric acid	HMDB0001874
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	Diketogulonic acid	HMDB0005971
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	Isocitrate	781
M215T170	215.016226	170.0	3859.8	[M+Na]+	1.0	1.0					215.01622400000002	-0.009301623520878015	[M+Na]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	Isocitric acid	HMDB0000193
M231T174	230.990164	173.5	1929.9								230.990009	-0.6710246935683117	[M+Na]+	9.0	4.0	0.0	6.0	0.0	0.0	C9H4O6	Stipitatonate	1792
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	(1R,2R)-Isocitric acid	HMDB0033717
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate	863
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	(1S,2S)-1-Hydroxypropane-1,2,3-tricarboxylate	3090
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate	3064
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2,3-Dihydroxy-5-Oxo-Hexanedioate	37494
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2,3-Diketo-L-gulonate	HMDB0006511
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2,3-Dioxo-L-gulonate	13506
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2,3-diketo-L-gulonate	20293
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2,3-diketogulonate	HMDB0062803
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2,5-Didehydro-D-gluconate	2148
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	2-Dehydro-3-deoxy-D-glucarate	2740
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	4,5-Dehydro-D-Glucuronic Acid	36800
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	5-Dehydro-4-deoxy-D-glucarate	1000
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	5-keto-4-deoxy-D-glucarate	20308
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	Carboxymethyloxysuccinate	2580
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	Citrate	675
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	Citric acid	HMDB0000094
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	D-Glucaro-1,4-lactone	HMDB0041862
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	D-threo-Isocitric acid	HMDB0001874
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	Diketogulonic acid	HMDB0005971
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	Isocitrate	781
M231T174	230.990164	173.5	1929.9	[M+K]+	1.0	1.0					230.990161	-0.012987566134584096	[M+K]+	6.0	8.0	0.0	7.0	0.0	0.0	C6H8O7	Isocitric acid	HMDB0000193
M426T180	426.05225	180.0	1149.95								426.05224499999997	-0.011735650035642068	[M+H]+	12.0	19.0	4.0	7.0	2.0	1.0	C12H19N4O7P2S	Thiamine pyrophosphate	HMDB0001372
M426T180	426.05225	180.0	1149.95								426.05231399999997	0.15021629468746972	[M+H]+	14.0	19.0	1.0	10.0	0.0	2.0	C14H19NO10S2	Glucosinalbin	HMDB0038401
M426T180	426.05225	180.0	1149.95								426.05231399999997	0.15021629468746972	[M+H]+	14.0	19.0	1.0	10.0	0.0	2.0	C14H19NO10S2	Sinalbin	40568
M492T190	492.06041	190.0	1060.0				C	M493T192	(13C)	14.4	492.060405	-0.010161354046311069	[M+Na]+	14.0	23.0	4.0	8.0	2.0	1.0	C14H23N4O8P2S	2-(a-Hydroxyethyl)thiamine diphosphate	HMDB0003904
M493T192	493.063765	192.5	163.33				(13C)	M492T190	C	14.4	493.064388	1.2635266613874616	[M+K]+	22.0	18.0	2.0	9.0	0.0	0.0	C22H18N2O9	Kinamycin D	9223
M550T200	550.06589	200.0	4549.65								550.0658840000001	-0.01090778404131062	[M+Na]+	16.0	25.0	4.0	10.0	2.0	1.0	C16H25N4O10P2S	3-Carboxy-1-hydroxypropylthiamine diphosphate	HMDB0006744
