m/z	rt	compound	formula	c
168.0779	2	1-Methyl-Histidine	C7H11N3O2	
280.1051	3	1-Methyladenosine	C11H15N5O4	
153.0193	13.58	2_3-dihydroxybenzoic acid	C7H6O4	
264.952	14.68	2_3-Diphosphoglyceric acid	C3H8O10P2	
193.0354	5	2-dehydro-D-gluconate	C6H10O7	
147.03385	12.06	2-Hydroxy-2-methylbutanedioic acid	C5H8O5	
175.0612	13.87	2-Isopropylmalic acid	C7H12O5	
115.0401	13.06	2-keto-isovalerate	C5H8O3	
147.0121	13.75	2-oxo-4-methylthiobutanoate	C5H8O3S	
101.0244	10.95	2-oxobutanoate	C4H6O3	
910.1502	15.72	3-hydroxy-3-methylglutaryl-CoA-nega	C27H44N7O20P3S	
103.0401	3.4	3-hydroxybutyric acid	C4H8O3	
852.1447	15.2	3-hydroxybutyryl-CoA	C25H42N7O18P3S	
149.0608	15.41	3-methylphenylacetic acid	C9H10O2	
184.0017	8.2	3-phospho-serine	C3H8NO6P	
184.9857	13.58	3-phosphoglycerate	C3H7O7P	
119.0172	11.92	3-S-methylthiopropionate	C4H8O2S	
102.0561	4	4-aminobutyrate	C4H9NO2	
181.0506	11.25	4-hydroxyphenyllactate	C9H10O4	
182.0459	14.14	4-Pyridoxic acid	C8H9NO4	
116.0717	1.18	5-aminopentanoic acid	C5H11NO2	
458.1794	14.1	5-methyl-THF	C20H25N7O6	
388.9445	14.94	5-phosphoribosyl-1-pyrophosphate	C5H13O14P3	
275.0174	13.38	6-phospho-D-gluconate	C6H13O10P	
442.1481	25.2	7_8-dihydrofolate	C19H21N7O6	
296.1	12	7-methylguanosine	C11H15N5O5	
101.0244	7.74	acetoacetate	C4H6O3	
850.1291	15.5	acetoacetyl-CoA	C25H40N7O18P3S	
850.1291	15.5	acetoacetyl-CoA	C25H40N7O18P3S	
174.0408	13	acetyl-aspartate	C6H9NO5	
808.1184	15.46	acetyl-CoA	C23H38N7O17P3S	
116.0353	7.44	Acetyl-glycine	CH3CONHCH2CO2H	
202.1085	2.4	Acetylcarnitine	C9H17NO4	
187.1088	1.1	Acetyllysine	C8H16N2O3	
138.9802	7.25	acetylphosphate	C2H5O5P	
173.0092	7.32	aconitate	C6H6O6	
134.0472	3.5	adenine	C5H5N5	
266.0895	1.27	adenosine	C10H13N5O4	
426.0126	13.58	adenosine 5'-phosphosulfate	C10H14N5O10PS	
426.0221	15.85	ADP	C10H15N5O10P2	
588.075	13.72	ADP-D-glucose	C16H25N5O15P2	
88.0404	1.15	alanine	C3H7NO2	
175.0473	5.62	allantoate	C4H8N4O4	
157.0367	0.82	allantoin	C4H6N4O3	
145.0142	13.13	alpha-ketoglutarate	C5H6O5	
160.0615	3.22	Aminoadipic acid	C6H11NO4	
130.051	1.15	Aminolevulinate	C5H9NO3	
346.0558	12.97	AMP	C10H14N5O7P	
136.0404	13.51	anthranilate	C7H7NO2	
173.1044	0.87	arginine	C6H14N4O2	
175.0248	6.59	Ascorbic acid	C6H8O6	
131.0462	1.15	asparagine	C4H8N2O3	
132.0302	3.95	aspartate	C4H7NO4	
505.9885	15.76	ATP	C10H16N5O13P3	
243.0809	12.92	biotin	C10H16N2O3S	
836.1498	15.72	butyryl-CoA	C25H42N7O17P3S	
139.9754	12.06	Carbamoyl phosphate	CH4NO5P	
160.0979	1	carnitine	C7H15NO3	
304.034	4.91	cCMP	C9H12N3O7P	
402.0109	13.53	CDP	C9H15N3O11P2	
487.1001	6.53	CDP-choline	C14H26N4O11P2	
445.0531	6.38	CDP-ethanolamine	C11H20N4O11P2	
341.1089	3.86	Cellobiose	C12H22O11	
344.0402	8.2	cGMP	C10H12N5O7P	
465.3044	17.25	cholesteryl sulfate	C27H46O4S	
407.2803	16.69	Cholic acid	C24H40O5	
129.0193	13.29	Citraconic acid	C5H6O4	
191.0197	13.13	citrate/isocitrate	C6H8O7	
191.0197	13.13	citrate/isocitrate	C6H8O7	
174.0884	0.9	citrulline	C6H13N3O3	
322.0446	8.61	CMP	C9H14N3O8P	
766.1079	15.57	coenzyme A	C21H36N7O16P3S	
481.9772	14.75	CTP	C9H16N3O14P3	
689.0876	14.2	cyclic bis(3'->5') dimeric GMP	C20H24N10O14P2	
328.0452	12.97	cyclic-AMP	C10H12N5O6P	
221.0602	1.14	cystathionine	C7H14N2O4S	
120.0125	1.23	cysteine	C3H7NO2S	
242.0782	1.2	cytidine	C9H13N3O5	
110.036	1.18	cytosine	C4H5N3O	
199.0013	7.45	D-erythrose-4-phosphate	C4H9O7P	
209.0303	13	D-glucarate	C6H10O8	
195.051	5	D-gluconate	C6H12O7	
257.0068	6.17	D-glucono-lactone-6-phosphate	C6H11O9P	
258.0384	1.9	D-glucosamine-1-phosphate	C6H14NO8P	
258.0384	1.9	D-glucosamine-6-phosphate	C6H14NO8P	
168.9908	7.35	D-glyceraldehdye-3-phosphate	C3H7O6P	
289.033	7.29	D-sedoheptulose-1/7-phosphate	C7H15O10P	
330.0609	12	dAMP	C10H14N5O6P	
489.9936	14.82	dATP	C10H16N5O12P3	
386.016	13.58	dCDP	C9H15N3O10P2	
306.0497	9.8	dCMP	C9H14N3O7P	
465.9823	14.8	dCTP	C9H16N3O13P3	
250.0946	11.99	deoxyadenosine	C10H13N5O3	
391.2854	16.79	Deoxycholic acid	C24H40O4	
266.0895	4.8	deoxyguanosine	C10H13N5O4	
251.0786	3.9	deoxyinosine	C10H12N4O4	
213.017	7.74	deoxyribose-phosphate	C5H11O7P	
227.0673	3.54	deoxyuridine	C9H12N2O5	
686.1416	14.94	dephospho-CoA	C21H35N7O13P2S	
686.1416	14.94	dephospho-CoA	C21H35N7O13P2S	
426.0221	14	dGDP	C10H15N5O10P2	
346.0558	11	dGMP	C10H14N5O7P	
505.9885	14.77	dGTP	C10H16N5O13P3	
157.0255	5.88	dihydroorotate	C5H6N2O4	
168.9908	9	dihydroxy-acetone-phosphate	C3H7O6P	
153.0049	4.37	Dithioerythritol	C4H10O2S2	
128.0717	1.2	DL-Pipecolic acid	C6H11NO2	
382.1732	3.73	DLH	C16H25N5O6	
332.1463	11.46	DLS	C13H23N3O7	
152.0717	2.1	Dopamine	C8H11NO2	
401.0157	14.41	dTDP	C10H16N2O11P2	
321.0493	11.27	dTMP	C10H15N2O8P	
480.982	14.75	dTTP	C10H17N2O14P3	
307.0337	10.28	dUMP	C9H13N2O8P	
466.9663	14.81	dUTP	C9H15N2O14P3	
243.0986	7.99	EV	C10H16N2O5	
784.1499	15	FAD	C27H33N9O15P2	
221.0608	7.7	Flavone	C15H10O2	
455.0973	14.54	FMN	C17H21N4O9P	
440.1324	13.99	folate	C19H19N7O6	
338.9888	15.05	fructose-1-6-bisphosphate	C6H14O12P2	
259.0224	7.98	fructose-6-phosphate	C6H13O9P	
115.0037	13.49	fumarate	C4H4O4	
442.017	13.9	GDP	C10H15N5O11P2	
313.0612	16.46	Geranyl-PP	C10H20O7P2	
177.0405	6.9	glucono-lactone	C6H10O6	
178.0721	0.7	glucosamine	C6H13NO5	
259.0224	7.98	glucose-1-phosphate	C6H13O9P	
259.0224	6.85	glucose-6-phosphate	C6H13O9P	
146.0459	2.5	glutamate	C5H9NO4	
145.0619	1.17	glutamine	C5H10N2O3	
306.0765	8.02	glutathione	C10H17N3O6S	
611.1447	12.94	glutathione disulfide	C20H32N6O12S2	
105.0193	6.35	glycerate	C3H6O4	
74.0248	1	glycine	C2H5NO2	
75.0088	6.95	glycolate	C2H4O3	
72.9931	7.45	glyoxylate	C2H2O3	
362.0507	11.04	GMP	C10H14N5O8P	
521.9834	14.95	GTP	C10H16N5O14P3	
116.0466	1.89	Guanidoacetic acid	C3H7N3O2	
150.0421	3.4	guanine	C5H5N5O	
282.0844	4	guanosine	C10H13N5O5	
601.9497	15.18	guanosine 5'-diphosphate-3'-diphosphate	C10H17N5O17P4	
259.0224	7	hexose-phosphate	C6H13O9P	
110.0724	1.92	Histamine	C5H9N3	
154.0622	0.87	histidine	C6H9N3O2	
140.0829	0.8	histidinol	C6H11N3O	
182.0129	4.8	homocysteic acid	C4H9NO5S	
134.0281	1	homocysteine	C4H9NO2S	
118.051	1	homoserine	C4H9NO3	
483.45665	9.83	HVDD	C19H29N6O9	
131.0714	14.14	Hydroxyisocaproic acid	C6H12O3	
151.0401	14.68	Hydroxyphenylacetic acid	C8H8O3	
179.035	13.58	hydroxyphenylpyruvate	C9H8O4	
130.051	1.18	hydroxyproline	C5H9NO3	
135.0312	1.18	hypoxanthine	C5H4N4O	
427.0062	13.9	IDP	C10H14N4O11P2	
332.1463	8.38	IDS	C13H23N3O7	
347.0398	11.58	IMP	C10H13N4O8P	
116.05	7.5	indole	C8H7N	
160.0404	14.31	Indole-3-carboxylic acid	C9H7NO2	
186.0561	14.94	Indoleacrylic acid	C11H9NO2	
267.0735	3.5	inosine	C10H12N4O5	
179.0561	1.13	Inositol	C6H12O6	
317.0925	15.06	Isopentyl-PP	C10H24O7P2	
188.0353	14.22	Kynurenic acid	C10H7NO3	
207.0775	3.6	Kynurenine	C10H12N2O3	
289.1154	7.7	L-arginino-succinate	C10H18N4O6	
89.0244	7.28	lactate	C3H6O3	
245.1143	8.65	LD	C10H18N2O5	
130.0874	2.22	leucine/isoleucine	C6H13NO2	
205.0362	15.97	lipoate	C8H14O2S2	
145.0983	0.85	lysine	C6H14N2O2	
133.0142	13.68	malate	C4H6O5	
852.1083	15.7	malonyl-CoA	C24H38N7O19P3S	
852.1083	15.7	malonyl-CoA	C24H38N7O19P3S	
148.0438	1.77	methionine	C5H11NO2S	
134.0281	1	Methylcysteine	C4H9NO2S	
117.0193	11.72	Methylmalonic acid	C4H6O4	
135.0564	3.5	methylnicotinamide	C7H8N2O	
179.0561	7.2	myo-inositol	C6H12O6	
300.049	1.71	N-acetyl-glucosamine	C8H16NO9P	
300.049	7.3	N-acetyl-glucosamine-1/6-phosphate	C8H16NO9P	
188.0564	13.37	N-acetyl-glutamate	C7H11NO5	
187.0724	6.26	N-acetyl-glutamine	C7H12N2O4	
130.051	8.41	N-Acetyl-L-alanine	C5H9NO3	
173.0932	1.21	N-acetyl-L-ornithine	C7H14N2O3	
129.1033	1	N-Acetylputrescine	C6H14N2O	
175.036	12.25	N-carbamoyl-L-aspartate	C5H8N2O5	
662.1019	9.16	NAD+	C21H27N7O14P2	
664.1175	14.14	NADH	C21H29N7O14P2	
742.0682	13.87	NADP+	C21H28N7O17P3	
744.0838	14.87	NADPH	C21H30N7O17P3	
333.0493	1.71	nicotinamide mononucleotide	C11H15N2O8P	
122.0248	11.2	nicotinate	C6H5NO2	
334.0333	11.44	Nicotinic acid mononucleotide	C11H14NO9P	
146.0459	1.1	O-acetyl-L-serine	C5H9NO4	
319.04765	6	Octoluse 8/1P	C8H17O11P	
399.0099	13.64	Octoluse Bisphosphate	C8H18O14P2	
131.0826	1	ornithine	C5H12N2O2	
155.0098	8.66	orotate	C5H4N2O4	
367.0184	13.58	orotidine-5'-phosphate	C10H13N2O11P	
130.9986	15.55	oxaloacetate	C4H4O5	
136.0404	8.7	p-aminobenzoate	C7H7NO2	
137.0244	10.88	p-hydroxybenzoate	C7H6O3	
218.1034	11	pantothenate	C9H17NO5	
229.083	4.68	PD	C9H14N2O5	
243.0986	4.55	PE	C10H16N2O5	
372.1412	10.5	PEE	C15H23N3O8	
500.2362	3.38	PEEK	C21H35N5O9	
164.0717	4.37	phenylalanine	C9H11NO2	
165.0557	14.68	Phenyllactic acid	C9H10O3	
145.0295	15.2	Phenylpropiolic acid	C9H6O2	
163.0401	15.1	phenylpyruvate	C9H8O3	
166.9751	13.83	phosphoenolpyruvate	C3H5O6P	
225.0405	13.87	prephenate	C10H10O6	
114.0561	1.27	proline	C5H9NO2	
822.1342	15.64	propionyl-CoA	C24H40N7O17P3S	
474.2358	11.64	PVNF	C23H33N5O6	
167.0826	7.6	Pyridoxamine	C8H12N2O2	
168.0666	2.46	pyridoxine	C8H11NO3	
128.0353	7.69	Pyroglutamic acid	C5H7NO3	
176.936	13.87	Pyrophosphate	P2H4O7	
87.0088	8.82	pyruvate	C3H4O3	
166.0146	13.58	quinolinate	C7H5NO4	
375.131	12.56	riboflavin	C17H20N4O6	
229.0119	6.94	Ribose-5-phosphate	C5H11O8P	
229.0119	6	ribose-phosphate	C5H11O8P	
229.0119	7.81	ribulose-5-phosphate	C5H11O8P	
383.1143	6.86	S-adenosyl-L-homoCysteine	C14H20N6O5S	
383.1143	6.86	S-adenosyl-L-homocysteine	C14H20N6O5S	
353.1401	1	S-adenosyl-L-methioninamine	C14H22N6O3S	
397.13	7	S-adenosyl-L-methionine	C15H22N6O5S	
296.0823	11.6	S-methyl-5'-thioadenosine	C11H15N5O3S	
266.0704	0.68	S-ribosyl-L-homocysteine-nega	C9H17NO6S	
88.0404	1	sarcosine	C3H7NO2	
219.0623	4.08	SD	C7H12N2O6	
332.1463	11.22	SDL	C13H23N3O7	
368.9993	13.64	Sedoheptoluse bisphosphate	C7H16O13P2	
104.0353	1.14	serine	C3H7NO3	
173.0455	10.92	shikimate	C7H10O5	
253.0119	13.44	shikimate-3-phosphate	C7H11O8P	
332.1463	10.96	SID	C13H23N3O7	
171.0064	7.3	sn-glycerol-3-phosphate	C3H9O6P	
117.0193	11.77	succinate	C4H6O4	
866.124	15.41	succinyl-CoA/methylmalonyl-CoA	C25H40N7O19P3S	
124.0074	0.82	taurine	C2H7NO3S	
498.2895	16.23	Taurodeoxycholic acid	C26H45NO6S	
240.1102	1.68	Tetrahydrobiopterin	C9H15N5O3	
263.0972	0.94	thiamine	C12H16N4OS	
423.0299	9.56	Thiamine pyrophosphate	C12H18N4O7P2S	
343.0635	11.11	thiamine-phosphate	C12H17N4O4PS	
118.051	1.19	threonine	C4H9NO3	
241.083	5.4	thymidine	C10H14N2O5	
125.0357	2.6	thymine	C5H6N2O2	
381.1238	16.74	trans_trans-farnesyl diphosphate	C15H28O7P2	
421.0753	6.95	trehalose-6-Phosphate	C12H23O14P	
341.1089	1.18	trehalose/sucrose	C12H22O11	
203.0826	8.03	tryptophan	C11H12N2O2	
180.0666	2	tyrosine	C9H11NO3	
402.9949	13.81	UDP	C9H14N2O12P2	
565.0478	13.44	UDP-D-glucose	C15H24N2O17P2	
579.027	14.68	UDP-D-glucuronate	C15H22N2O18P2	
606.0743	13.37	UDP-N-acetyl-glucosamine	C17H27N3O17P2	
323.0286	10.32	UMP	C9H13N2O9P	
111.02	1.18	uracil	C4H4N2O2	
167.0211	6.17	Uric acid	C5H4N4O3	
243.0623	1.7	uridine	C9H12N2O6	
482.9613	14.81	UTP	C9H15N2O15P3	
116.0717	1.45	valine	C5H11NO2	
231.0986	6.33	VD	C9H16N2O5	
151.0262	2.69	xanthine	C5H4N4O2	
283.0684	7.77	xanthosine	C10H12N4O6	
363.0347	12.7	xanthosine-5-phosphate	C10H13N4O9P	
204.0302	14.14	Xanthurenic acid	C10H7NO4	
149.0455	1.22	Ribose	C5H10O5	
