Qatar Precision Health Institute

COMP ID	BIOCHEMICAL	SUPER PATHWAY	SUB PATHWAY	PLATFORM	CHEMICAL ID	RI	MASS	PUBCHEM	CAS	KEGG	HMDB
42370	S-1-pyrroline-5-carboxylate	Amino Acid	Glutamate Metabolism	LC/MS Pos Early	35	1528	114.05496	1196	2906-39-0	C04322	HMDB01301
485	spermidine	Amino Acid	Polyamine Metabolism	LC/MS Pos Early	50	3355	146.16518	1102	124-20-9	C00315	HMDB01257
27665	1-methylnicotinamide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	LC/MS Pos Early	55	1940	137.07094	457	1005-24-9	C02918	HMDB00699
38395	12,13-DiHOME	Lipid	Fatty Acid, Dihydroxy	LC/MS Neg	62	5137	313.23843	10236635	263399-35-5	C14829	HMDB04705
437	5-hydroxyindoleacetate	Amino Acid	Tryptophan Metabolism	LC/MS Neg	71	1510.2	190.05096	1826	54-16-0	C05635	HMDB00763
528	alpha-ketoglutarate	Energy	TCA Cycle	LC/MS Polar	93	2700	145.01425	51	305-72-6;328-50-7;22202-68-2	C00026	HMDB00208
1417	kynurenate	Amino Acid	Tryptophan Metabolism	LC/MS Neg	98	2224	188.03531	3845	492-27-3	C01717	HMDB00715
1549	3-hydroxyisobutyrate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Polar	111	1619	103.04007	87	2068-83-9	C06001	HMDB00336
531	3-hydroxy-3-methylglutarate	Lipid	Mevalonate Metabolism	LC/MS Neg	112	621.1	161.04555	1662	503-49-1	C03761	HMDB00355
1101	homovanillate (HVA)	Amino Acid	Tyrosine Metabolism	LC/MS Neg	117	1649	181.05063	1738	306-08-1	C05582	HMDB00118
1414	3-phosphoglycerate	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	LC/MS Pos Early	132	590	187.00022	724	80731-10-8	C00597	HMDB00807
22842	cholate	Lipid	Primary Bile Acid Metabolism	LC/MS Neg	136	5165	407.28029	221493	81-25-4	C00695	HMDB00619
38309	4-hydroxynonenal	Lipid	Fatty Acid, Oxidized	LC/MS Neg	143	4745	155.10775	1693	75899-68-2;128946-65-6		HMDB04362
541	4-hydroxyphenylacetate	Amino Acid	Phenylalanine Metabolism	LC/MS Neg	144	1361	151.04007	127	156-38-7	C00642	HMDB00020
1418	5,6-dihydrothymine	Nucleotide	Pyrimidine Metabolism, Thymine containing	LC/MS Pos Early	158	1280	129.06586	93556	696-04-8	C00906	HMDB00079
3127	hypoxanthine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	LC/MS Pos Early	171	1295	137.04579	790	68-94-0	C00262	HMDB00157
38399	9,10-DiHOME	Lipid	Fatty Acid, Dihydroxy	LC/MS Neg	179	5180	313.23843	9966640	263399-34-4	C14828	HMDB04704
1105	linoleate (18:2n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	180	5535	279.23295	5280450	60-33-3	C01595	HMDB00673
1645	laurate (12:0)	Lipid	Medium Chain Fatty Acid	LC/MS Neg	181	5300	199.17035	3893	143-07-7	C02679	HMDB00638
1899	quinolinate	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	LC/MS Pos Early	182	845	168.02914	1066	89-00-9	C03722	HMDB00232
1498	N6,N6,N6-trimethyllysine	Amino Acid	Lysine Metabolism	LC/MS Pos Early	189	2825	189.15976	440120	23284-33-5	C03793	HMDB01325
37496	N-acetylputrescine	Amino Acid	Polyamine Metabolism	LC/MS Pos Early	192	2230	131.11789	122356	18233-70-0	C02714	HMDB02064
2829	N-formylmethionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Neg	194	1543.8	176.03869	439750	4289-98-9	C03145	HMDB01015
42382	S-adenosylhomocysteine (SAH)	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Neg	197	1832.4	383.11431	439155	979-92-0	C00021	HMDB00939
2831	adenosine 3',5'-cyclic monophosphate (cAMP)	Nucleotide	Purine Metabolism, Adenine containing	LC/MS Neg	207	1952.2	328.04524	6076	60-92-4	C00575	HMDB00058
32342	adenosine 5'-monophosphate (AMP)	Nucleotide	Purine Metabolism, Adenine containing	LC/MS Pos Early	209	1013	348.07037	6083	149022-20-8	C00020	HMDB00045
1419	5-methylthioadenosine (MTA)	Amino Acid	Polyamine Metabolism	LC/MS Pos Early	212	2752	298.09684	439176	2457-80-9	C00170	HMDB01173
37114	N6-methyladenosine	Nucleotide	Purine Metabolism, Adenine containing	LC/MS Pos Early	213	2264	282.11969	102175	1867-73-8		HMDB04044
1110	arachidonate (20:4n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	229	5535	303.23295	444899	506-32-1	C00219	HMDB01043
1638	arginine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	231	2825	175.11896	232	1119-34-2	C00062	HMDB00517
443	aspartate	Amino Acid	Alanine and Aspartate Metabolism	LC/MS Pos Early	234	1165	134.04479	5960	56-84-8	C00049	HMDB00191
1432	2-hydroxyphenylacetate	Amino Acid	Phenylalanine Metabolism	LC/MS Neg	235	2164.6	151.04006	11970	614-75-5	C05852	HMDB00669
32197	3-(4-hydroxyphenyl)lactate	Amino Acid	Tyrosine Metabolism	LC/MS Neg	240	1379	181.05063	9378	6482-98-0	C03672	HMDB00755
566	phenylpyruvate	Amino Acid	Phenylalanine Metabolism	LC/MS Neg	241	2515	163.04007	997	156-06-9	C00166	HMDB00205
55	beta-alanine	Nucleotide	Pyrimidine Metabolism, Uracil containing	LC/MS Pos Early	244	1905	90.05496	239	56-41-7;107-95-9	C00099	HMDB00056
2137	biliverdin	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	LC/MS Pos Late	250	1016	583.25512	5353439	55482-27-4;55482-27-4	C00500	HMDB01008
1437	succinate	Energy	TCA Cycle	LC/MS Polar	252	3149	117.01933	1110	110-15-6	C00042	HMDB00254
542	3-hydroxybutyrate (BHBA)	Lipid	Ketone Bodies	LC/MS Polar	254	1480	103.04007	441	625-72-9	C01089	HMDB00357
63	cholesterol	Lipid	Sterol	LC/MS Pos Late	266	2707	369.35159	11025495	57-88-5	C00187	HMDB00067
34396	choline phosphate	Lipid	Phospholipid Metabolism	LC/MS Pos Early	267	700	184.07332	1014	72556-74-2	C00588	HMDB01565
5983	corticosterone	Lipid	Corticosteroids	LC/MS Neg	272	5040	345.20713	5753	50-22-6	C02140	HMDB01547
1769	cortisone	Lipid	Corticosteroids	LC/MS Neg	273	4575	359.18639	222786	53-06-5	C00762	HMDB02802
513	creatinine	Amino Acid	Creatine Metabolism	LC/MS Pos Early	275	2055	114.06619	588	60-27-5	C00791	HMDB00562
35637	cysteinylglycine	Amino Acid	Glutathione Metabolism	LC/MS Pos Early	278	2132	179.0485	439498	19246-18-5	C01419	HMDB00078
56	cystine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Pos Early	279	2000	241.03113	67678	56-89-3	C00491	HMDB00192
17747	sphingosine	Lipid	Sphingosines	LC/MS Pos Late	297	1393	300.28971	5353955	123-78-4	C00319	HMDB00252
1114	deoxycholate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	302	5294	391.28538	222528	83-44-3	C04483	HMDB00626
15705	cystathionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Pos Early	310	2270	223.07471	439258	535-34-2	C02291	HMDB00099
17769	sphinganine	Lipid	Sphingolipid Synthesis	LC/MS Pos Late	313	1413	302.30536	3126	3102-56-5	C00836	HMDB00269
1643	fumarate	Energy	TCA Cycle	LC/MS Polar	330	3084	115.00368	444972	100-17-8	C00122	HMDB00134
36738	gamma-glutamylglutamate	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	331	1775	277.10303	92865	1116-22-9	C05282	HMDB11737
587	gluconate	Xenobiotics	Food Component/Plant	LC/MS Polar	338	2922	195.05102	10690	527-07-1	C00257	HMDB00625
396	glutarate (C5-DC)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Polar	339	2900	131.03498	743	110-94-1	C00489	HMDB00661
58	glycine	Amino Acid	Glycine, Serine and Threonine Metabolism	LC/MS Pos Early	340	1375	76.03931	750	56-40-6	C00037	HMDB00123
18476	glycocholate	Lipid	Primary Bile Acid Metabolism	LC/MS Neg	342	5163	464.30176	10140	475-31-0;863-57-0	C01921	HMDB00138
43802	guanidinoacetate	Amino Acid	Creatine Metabolism	LC/MS Pos Early	344	1937	118.06111	763	352-97-6	C00581	HMDB00128
59	histidine	Amino Acid	Histidine Metabolism	LC/MS Neg	355	755.9	154.0622	6274	5934-29-2	C00135	HMDB00177
1712	cortisol	Lipid	Corticosteroids	LC/MS Neg	356	4710	361.20204	5754	50-23-7	C00735	HMDB00063
1123	inosine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	LC/MS Neg	361	1602.1	267.07349	6021	58-63-9	C00294	HMDB00195
2133	inosine 5'-monophosphate (IMP)	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	LC/MS Pos Early	362	650	349.05438	8582	4691-65-0	C00130	HMDB00175
1124	myo-inositol	Lipid	Inositol Metabolism	LC/MS Polar	363	3506.3	225.06159	892	87-89-8	C00137	HMDB00211
1125	isoleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Pos Early	376	2800	132.10191	6306	73-32-5	C00407	HMDB00172
6146	2-aminoadipate	Amino Acid	Lysine Metabolism	LC/MS Pos Early	381	1912	162.07609	469	542-32-5;1118-90-7	C00956	HMDB00510
2132	citrulline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	391	1520	176.10297	9750	372-75-8	C00327	HMDB00904
60	leucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Pos Early	397	2864	132.10191	6106	61-90-5
37530	leukotriene B4	Lipid	Eicosanoid	LC/MS Neg	399	5186	335.22278	5280492	71160-24-2	C02165	HMDB01085
1301	lysine	Amino Acid	Lysine Metabolism	LC/MS Pos Early	407	2850	147.11281	5962	56-87-1	C00047	HMDB00182
1303	malate	Energy	TCA Cycle	LC/MS Neg	409	615.6	133.01425	525	6915-15-7	C00149	HMDB00156
1302	methionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Neg	415	1147	148.04377	6137	63-68-3	C00073	HMDB00696
1336	palmitate (16:0)	Lipid	Long Chain Saturated Fatty Acid	LC/MS Neg	424	5618	255.23295	985	57-10-3	C00249	HMDB00220
594	nicotinamide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	LC/MS Pos Early	432	1942	123.05529	936	98-92-0	C00153	HMDB01406
1358	stearate (18:0)	Lipid	Long Chain Saturated Fatty Acid	LC/MS Neg	439	5872	283.26425	5281	57-11-4	C01530	HMDB00827
1493	ornithine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	444	2800	133.09716	6262	3184-13-2	C00077	HMDB03374
1505	orotate	Nucleotide	Pyrimidine Metabolism, Orotate containing	LC/MS Polar	445	1638.1	155.00983	967	50887-69-9	C00295	HMDB00226
33447	palmitoleate (16:1n7)	Lipid	Long Chain Monounsaturated Fatty Acid	LC/MS Neg	452	5475	253.2173	445638	373-49-9	C08362	HMDB03229
64	phenylalanine	Amino Acid	Phenylalanine Metabolism	LC/MS Pos Early	460	2878	166.08626	6140	63-91-2	C00079	HMDB00159
42109	phosphate	Energy	Oxidative Phosphorylation	LC/MS Pos Early	461	576	98.98418	1061	7664-38-2	C00009	HMDB01429
1898	proline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	480	1603	116.07061	145742	147-85-3	C00148	HMDB00162
527	lactate	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	LC/MS Polar	482	1469	89.02442	612	79-33-4	C00186	HMDB00190
1806	retinol (Vitamin A)	Cofactors and Vitamins	Vitamin A Metabolism	LC/MS Pos Late	498	1636	269.22639	445354	68-26-8	C00473	HMDB00305
1515	salicylate	Xenobiotics	Drug - Topical Agents	LC/MS Polar	501	802	137.02422	338	69-72-7	C00805	HMDB01895
1648	serine	Amino Acid	Glycine, Serine and Threonine Metabolism	LC/MS Pos Early	503	1239	106.04987	5951	56-45-1	C00065	HMDB00187
2342	serotonin	Amino Acid	Tryptophan Metabolism	LC/MS Pos Early	504	2550	177.10224	5202	153-98-0	C00780	HMDB00259
2125	taurine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Pos Early	512	660	126.02195	1123	107-35-7	C00245	HMDB00251
1365	myristate (14:0)	Lipid	Long Chain Saturated Fatty Acid	LC/MS Neg	519	5440	227.20165	11005	544-63-8	C06424	HMDB00806
1670	urea	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	533	700	121.07201	1176	57-13-6	C00086	HMDB00294
606	uridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	LC/MS Neg	535	1457.6	243.06226	6029	58-96-8	C00299	HMDB00296
52602	2'-deoxyuridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	LC/MS Neg	536	1586	227.0673	13712	951-78-0	C00526	HMDB00012
607	trans-urocanate	Amino Acid	Histidine Metabolism	LC/MS Pos Early	537	2285	139.05021	736715	104-98-3	C00785	HMDB00301
57	glutamate	Amino Acid	Glutamate Metabolism	LC/MS Pos Early	561	1500	148.06044	611	56-86-0	C00025	HMDB00148
53	glutamine	Amino Acid	Glutamate Metabolism	LC/MS Pos Early	563	1291	147.07642	5961	56-85-9	C00064	HMDB00641
1284	threonine	Amino Acid	Glycine, Serine and Threonine Metabolism	LC/MS Pos Early	564	1514	120.06552	6288	72-19-5	C00188	HMDB00167
54	tryptophan	Amino Acid	Tryptophan Metabolism	LC/MS Pos Early	565	2986	205.09716	6305	73-22-3	C00078	HMDB00929
1649	valine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	566	909.4	116.0717	6287	72-18-4	C00183	HMDB00883
48152	glucose	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	LC/MS Polar	572	2342	225.06159	5793	50-99-7	C00031	HMDB00122
4968	alpha-ketobutyrate	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Neg	796	949.2	101.02442	58	600-18-0	C00109	HMDB00005
3141	betaine	Amino Acid	Glycine, Serine and Threonine Metabolism	LC/MS Pos Early	799	1064	118.08626	247	107-43-7	C00719	HMDB00043
1868	cysteine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Pos Early	800	1475	122.02703	5862	52-90-4;56-89-3	C00097	HMDB00574
48153	mannose	Carbohydrate	Fructose, Mannose and Galactose Metabolism	LC/MS Polar	803	2200	225.06159	18950	3458-28-4	C00159	HMDB00169
5086	dimethylglycine	Amino Acid	Glycine, Serine and Threonine Metabolism	LC/MS Pos Early	806	1104	104.07061	673	1118-68-9	C01026	HMDB00092
1126	alanine	Amino Acid	Alanine and Aspartate Metabolism	LC/MS Pos Early	811	1700	90.05496	5950	56-41-7	C00041	HMDB00161
1299	tyrosine	Amino Acid	Tyrosine Metabolism	LC/MS Pos Early	815	2430	182.08117	6057	60-18-4	C00082	HMDB00158
33442	pseudouridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	LC/MS Neg	821	1100	243.06226	15047	1445-07-4	C02067	HMDB00767
42582	pyruvate	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	LC/MS Neg	823	732.4	87.00877	1060	127-17-3	C00022	HMDB00243
605	uracil	Nucleotide	Pyrimidine Metabolism, Uracil containing	LC/MS Neg	825	1086	111.02	1174	66-22-8	C00106	HMDB00300
514	cytidine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	LC/MS Neg	827	1325	242.07824	6175	65-46-3	C00475	HMDB00089
553	cotinine	Xenobiotics	Tobacco Metabolite	LC/MS Pos Early	848	2213	177.10224	854019	486-56-6		HMDB01046
569	caffeine	Xenobiotics	Xanthine Metabolism	LC/MS Pos Early	849	2106	195.08766	2519	58-08-2	C07481	HMDB01847
48195	fructose	Carbohydrate	Fructose, Mannose and Galactose Metabolism	LC/MS Polar	878	2065	225.06159	5984	57-48-7	C00095	HMDB00660
554	adenine	Nucleotide	Purine Metabolism, Adenine containing	LC/MS Pos Early	880	2221	136.06178	190	73-24-5	C00147	HMDB00034
573	cytosine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	LC/MS Pos Early	881	2060	112.05054	597	71-30-7	C00380	HMDB00630
1642	caprate (10:0)	Lipid	Medium Chain Fatty Acid	LC/MS Neg	888	5090.7	171.13905	2969	334-48-5	C01571	HMDB00511
1121	margarate (17:0)	Lipid	Long Chain Saturated Fatty Acid	LC/MS Neg	891	5731	269.2486	10465	506-12-7		HMDB02259
1356	nonadecanoate (19:0)	Lipid	Long Chain Saturated Fatty Acid	LC/MS Neg	892	6068	297.2799	12591	646-30-0	C16535	HMDB00772
15586	maltose	Carbohydrate	Glycogen Metabolism	LC/MS Polar	913	3329.4	387.11442	10991489	6363-53-7	C00208	HMDB00163
512	asparagine	Amino Acid	Alanine and Aspartate Metabolism	LC/MS Pos Early	917	1225	133.06077	6267	70-47-3	C00152	HMDB00168
1644	heptanoate (7:0)	Lipid	Medium Chain Fatty Acid	LC/MS Neg	925	3670	129.0921	8094	111-14-8	C17714	HMDB00666
32489	caproate (6:0)	Lipid	Medium Chain Fatty Acid	LC/MS Neg	926	2713.7	115.07645	8892	142-62-1	C01585	HMDB00535
32492	caprylate (8:0)	Lipid	Medium Chain Fatty Acid	LC/MS Neg	932	4362	143.10775	379	124-07-2	C06423	HMDB00482
1519	sucrose	Carbohydrate	Disaccharides and Oligosaccharides	LC/MS Polar	935	3092	387.11442	5988	57-50-1	C00089	HMDB00258
1361	pentadecanoate (15:0)	Lipid	Long Chain Saturated Fatty Acid	LC/MS Neg	980	5521	241.2173	13849	1002-84-2;10002-84-2	C16537	HMDB00826
32306	trans-4-hydroxyproline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	1001	1064	132.06552	5810	51-35-4	C01157	HMDB00725
1107	allantoin	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	LC/MS Polar	1002	1672	157.03671	204	97-59-6	C02350	HMDB00462
3147	xanthine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	LC/MS Polar	1004	2023	151.02615	1188	69-89-6	C00385	HMDB00292
1494	5-oxoproline	Amino Acid	Glutathione Metabolism	LC/MS Neg	1021	738.5	128.03531	7405	98-79-3	C01879	HMDB00267
1512	picolinate	Amino Acid	Tryptophan Metabolism	LC/MS Pos Early	1022	910	124.03931	1018	98-98-6	C10164	HMDB02243
1516	sarcosine	Amino Acid	Glycine, Serine and Threonine Metabolism	LC/MS Pos Early	1023	1280	90.05496	1088	107-97-1	C00213	HMDB00271
1508	pantothenate	Cofactors and Vitamins	Pantothenate and CoA Metabolism	LC/MS Neg	1024	1498.7	218.10339	6613	137-08-6	C00864	HMDB00210
1444	pipecolate	Amino Acid	Lysine Metabolism	LC/MS Pos Early	1025	2200	130.08626	849	4043-87-2	C00408	HMDB00070
1600	phosphoethanolamine	Lipid	Phospholipid Metabolism	LC/MS Pos Early	1026	700	142.02638	1015	1071-23-4	C00346	HMDB00224
1572	glycerate	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	LC/MS Polar	1052	2070.4	105.01933	752	600-19-1	C00258	HMDB00139
3155	3-ureidopropionate	Nucleotide	Pyrimidine Metabolism, Uracil containing	LC/MS Pos Early	1053	875	133.06077	111	462-88-4	C02642	HMDB00026
1587	N-acetylleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Pos Early	1082	2656	174.11247	70912	1188-21-2	C02710	HMDB11756
1589	N-acetylmethionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Neg	1083	1787	190.05434	448580	65-82-7	C02712	HMDB11745
1591	N-acetylvaline	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	1084	1704	158.08226	66789	96-81-1		HMDB11757
1552	erucate (22:1n9)	Lipid	Long Chain Monounsaturated Fatty Acid	LC/MS Neg	1087	6355.6	337.3112	5281116	112-86-7	C08316	HMDB02068
43807	bilirubin (Z,Z)	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	LC/MS Pos Late	1090	1840	585.27076	5280352	635-65-4	C00486	HMDB00054
2761	thyroxine	Amino Acid	Tyrosine Metabolism	LC/MS Neg	1094	4808	775.67944	5819	51-48-9	C01829	HMDB01918
2734	gamma-glutamyltyrosine	Peptide	Gamma-glutamyl Amino Acid	LC/MS Neg	1102	1240	309.10921	94340	7432-23-7		HMDB11741
1584	methyl indole-3-acetate	Xenobiotics	Food Component/Plant	LC/MS Neg	1104	4548	188.0717	74706	1912-33-0		HMDB29738
1561	alpha-tocopherol	Cofactors and Vitamins	Tocopherol Metabolism	LC/MS Pos Late	1105	2522	430.37818	14985	59-02-9;10191-41-0	C02477	HMDB01893
1585	N-acetylalanine	Amino Acid	Alanine and Aspartate Metabolism	LC/MS Neg	1110	861	130.05096	88064	97-69-8	C02847	HMDB00766
1567	vanillylmandelate (VMA)	Amino Acid	Tyrosine Metabolism	LC/MS Neg	1111	941	197.04555	1245	55-10-7	C05584	HMDB00291
1558	4-acetamidobutanoate	Amino Acid	Polyamine Metabolism	LC/MS Pos Early	1113	1350	146.08117	18189	3025-96-5	C02946	HMDB03681
1566	3-aminoisobutyrate	Nucleotide	Pyrimidine Metabolism, Thymine containing	LC/MS Pos Early	1114	2190	104.07061	64956	10569-72-9;214139-20-5	C05145	HMDB03911
1564	citrate	Energy	TCA Cycle	LC/MS Neg	1124	582	191.01973	311	77-92-9	C00158	HMDB00094
1559	5,6-dihydrouracil	Nucleotide	Pyrimidine Metabolism, Uracil containing	LC/MS Neg	1125	1120	113.03565	649	504-07-4	C00429	HMDB00076
42374	2-aminobutyrate	Amino Acid	Glutathione Metabolism	LC/MS Pos Early	1128	2059	104.07061	439691	1492-24-6	C02261	HMDB00650
1604	urate	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	LC/MS Neg	1134	757.1	167.02106	1175	69-93-2;120K5305	C00366	HMDB00289
1605	ursodeoxycholate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	1135	5055	391.28538	31401	128-13-2	C07880	HMDB00946
38102	oleoyl ethanolamide	Lipid	Endocannabinoid	LC/MS Neg	1137	6450	324.2908	5283454	11-58-0;111-58-0		HMDB02088
2730	gamma-glutamylglutamine	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	1140	1430	276.11902	150914	10148-81-9	C05283	HMDB11738
40605	butyrate/isobutyrate (4:0)	Lipid	Short Chain Fatty Acid	LC/MS Neg	1143	1062	87.04515	264	109-92-6	C00246	HMDB00039
32377	N-acetylneuraminate	Carbohydrate	Aminosugar Metabolism	LC/MS Polar	1162	3072.6	308.0987	439197	131-48-6	C00270	HMDB00230
48149	N-acetylglucosaminylasparagine	Carbohydrate	Aminosugar Metabolism	LC/MS Pos Early	1215	1212	336.14015	123826	2776-93-4	C04540	HMDB00489
27718	creatine	Amino Acid	Creatine Metabolism	LC/MS Pos Early	1221	1947	132.07676	586	57-00-1	C00300	HMDB00064
18368	cys-gly, oxidized	Amino Acid	Glutathione Metabolism	LC/MS Pos Early	1224	2947	355.07406	333293	7729-20-6
18474	estrone 3-sulfate	Lipid	Estrogenic Steroids	LC/MS Neg	1230	4417.3	349.11152	3001028	438-67-5	C02538	HMDB01425
17805	dihomo-linoleate (20:2n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	1231	5730	307.26425	6439848	2091-39-6	C16525	HMDB05060
18245	gamma-glutamylhistidine	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	1235	2740	285.11935	7017195	37460-15-4
17945	2-hydroxystearate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	1239	5695	299.25917	69417	629-22-1	C03045
15650	N1-methyladenosine	Nucleotide	Purine Metabolism, Adenine containing	LC/MS Pos Early	1242	2120	282.11969	27476	15763-06-1	C02494	HMDB03331
15122	glycerol	Lipid	Glycerolipid Metabolism	LC/MS Neg	1254	758	91.04007	753	56-81-5	C00116	HMDB00131
15506	choline	Lipid	Phospholipid Metabolism	LC/MS Pos Early	1256	1961	104.10699	305	67-48-1	C00114	HMDB00097
57746	anthranilate	Amino Acid	Tryptophan Metabolism	LC/MS Pos Early	1258	2606	120.0444	227	118-92-3	C00108	HMDB01123
18369	gamma-glutamylleucine	Peptide	Gamma-glutamyl Amino Acid	LC/MS Neg	1268	1685	259.12994	151023	2566-39-4		HMDB11171
17665	p-hydroxybenzaldehyde	Xenobiotics	Benzoate Metabolism	LC/MS Neg	1276	2040	121.0295	126	123-08-0	C00633	HMDB11718
12017	3-methoxytyrosine	Amino Acid	Tyrosine Metabolism	LC/MS Pos Early	1342	2555	212.09174	1670	300-48-1		HMDB01434
44619	fluoxetine	Xenobiotics	Drug - Psychoactive	LC/MS Pos Late	1382	1025	310.14133	3386	59333-67-4	D00326
12032	4-acetamidophenol	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	1383	2173.7	150.05605	1983	103-90-2	C06804	HMDB01859
12122	naproxen	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	1384	4155	229.08702	156391	22204-53-1	C01517	HMDB01923
2772	topiramate	Xenobiotics	Drug - Neurological	LC/MS Neg	1388	4021	338.09151	5284627	97240-79-4	C07502	HMDB05034
12129	beta-hydroxyisovalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	1442	1027	117.05572	69362	625-08-1		HMDB00754
17799	ibuprofen	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	1487	4925	205.1234	3672	15687-27-1	D00126	HMDB01925
38165	palmitoyl ethanolamide	Lipid	Endocannabinoid	LC/MS Neg	1489	6300	298.27515	4671	544-31-0	C16512	HMDB02100
44877	N-palmitoyl-sphingosine (d18:1/16:0)	Lipid	Ceramides	LC/MS Pos Late	1518	2893	538.51937	5283564	24696-26-2		HMDB04949
19263	1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	Lipid	Phosphatidylethanolamine (PE)	LC/MS Pos Late	1526	2600	718.53813	5283496	26662-94-2		HMDB05320
52450	1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	Lipid	Phosphatidylinositol (PI)	LC/MS Polar	1528	910	833.51845				HMDB09784
52460	1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	Lipid	Phosphatidylcholine (PC)	LC/MS Polar	1537	870	802.56018	5287971	40811-94-7		HMDB07973
19503	stearoyl sphingomyelin (d18:1/18:0)	Lipid	Sphingomyelins	LC/MS Pos Late	1538	2450	731.60615	6453725	85187-10-6;85187-10-6	C00550	HMDB01348
52461	1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	1539	2450	760.58509	6436017	26853-31-6;26853-31-6		HMDB07972
54979	N-stearoyl-sphingosine (d18:1/18:0)*	Lipid	Ceramides	LC/MS Pos Late	1547	3392	566.55067	5283565	104404-17-3		HMDB04950
32346	glycochenodeoxycholate	Lipid	Primary Bile Acid Metabolism	LC/MS Neg	1628	5236.1	448.30684	12544	16564-43-5	C05466	HMDB00637
18494	taurochenodeoxycholate	Lipid	Primary Bile Acid Metabolism	LC/MS Neg	1629	5250	498.28948	387316	6009-98-9	C05465	HMDB00951
18497	taurocholate	Lipid	Primary Bile Acid Metabolism	LC/MS Neg	1648	5150	514.28439	6675	145-42-6	C05122	HMDB00036
12261	taurodeoxycholate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	1668	5257.4	498.28948	2733768	207737-97-1	C05463	HMDB00896
18281	2-hydroxyhippurate (salicylurate)	Xenobiotics	Benzoate Metabolism	LC/MS Neg	1869	2184	194.04588	10253	487-54-7	C07588	HMDB00840
18037	metoprolol	Xenobiotics	Drug - Cardiovascular	LC/MS Pos Late	2028	760	268.19072	4171	56392-17-7	D02358	HMDB01932
18362	azelate (C9-DC)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	2029	1276	187.09758	2266	123-99-9	C08261	HMDB00784
45721	3-(N-acetyl-L-cystein-S-yl) acetaminophen	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	2048	2094	311.07072	83967	52372-86-8
37475	4-acetaminophen sulfate	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	2049	1792	230.01287	83939	10066-90-7;32113-41-0	C06804	HMDB59911
18467	eicosapentaenoate (EPA; 20:5n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	2050	5450	301.2173	446284	10-2005-9;10417-94-4	C06428	HMDB01999
15745	methylsuccinate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Polar	2051	2800	131.03498	10349	498-21-5		HMDB01844
15765	ethylmalonate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Polar	2054	2785	131.03498	11756	601-75-2		HMDB00622
15500	carnitine	Lipid	Carnitine Metabolism	LC/MS Pos Early	100000007	1978	162.11247	10917	461-05-2	C00318	HMDB00062
15778	benzoate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100000008	1750	121.0295	243	65-85-0	C00180	HMDB01870
15749	3-phenylpropionate (hydrocinnamate)	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100000010	2860	149.0608	107	501-52-0	C05629	HMDB00764
57745	phenylacetate	Amino Acid	Phenylalanine Metabolism	LC/MS Neg	100000011	2150	91.05535	999	103-82-2	C07086	HMDB00209
15753	hippurate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100000014	2106.9	178.05096	464	495-69-2	C01586	HMDB00714
15679	xanthurenate	Amino Acid	Tryptophan Metabolism	LC/MS Pos Early	100000015	2236	206.04479	5699	59-007	C02470	HMDB00881
15730	suberate (C8-DC)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Polar	100000016	2577.6	173.08193	10457	505-48-6	C08278	HMDB00893
15676	3-methyl-2-oxovalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100000036	2064.2	129.05572	47	1460-34-0;51829-07-3	C00671	HMDB03736
18374	methionine sulfoxide	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Pos Early	100000039	1272	166.05325	158980	3226-65-1	C02989	HMDB02005
15677	3-methylhistidine	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100000042	2670	170.09241	64969	368-16-1	C01152	HMDB00479
15736	4-acetamidophenylglucuronide	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	100000043	1400	326.08814	83944	120595-80-4		HMDB10316
15685	5-hydroxylysine	Amino Acid	Lysine Metabolism	LC/MS Pos Early	100000054	2790	163.10772	1029	13204-98-3	C16741	HMDB00450
15681	4-guanidinobutanoate	Amino Acid	Guanidino and Acetamido Metabolism	LC/MS Pos Early	100000096	2320	146.09241	500	463-003;463-00-3	C01035	HMDB03464
15443	glucuronate	Carbohydrate	Aminosugar Metabolism	LC/MS Polar	100000257	3233.3	193.03537	444791	207300-70-7	C00191	HMDB00127
43847	glycerol 3-phosphate	Lipid	Glycerolipid Metabolism	LC/MS Pos Early	100000258	580	173.02095	754	29849-82-9	C00093	HMDB00126
15716	imidazole lactate	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100000263	2040	157.06077	793	14403-45-3	C05568	HMDB02320
15140	kynurenine	Amino Acid	Tryptophan Metabolism	LC/MS Pos Early	100000265	2739	209.09207	161166	2922-83-0	C00328	HMDB00684
15990	glycerophosphorylcholine (GPC)	Lipid	Phospholipid Metabolism	LC/MS Pos Early	100000269	672	258.1101	71920	28319-77-9	C00670	HMDB00086
15720	N-acetylglutamate	Amino Acid	Glutamate Metabolism	LC/MS Pos Early	100000282	1050	190.071	70914	5817-08-3	C00624	HMDB01138
15772	ribitol	Carbohydrate	Pentose Metabolism	LC/MS Polar	100000406	1789.6	151.06119	6912	488-81-3	C00474	HMDB00508
18477	glycodeoxycholate	Lipid	Secondary Bile Acid Metabolism	LC/MS Pos Late	100000436	1302	450.3214	3035026	360-65-6	C05464	HMDB00631
18394	theophylline	Xenobiotics	Xanthine Metabolism	LC/MS Neg	100000437	2356.9	179.05745	2153	58-55-9	C07130	HMDB01889
18335	quinate	Xenobiotics	Food Component/Plant	LC/MS Polar	100000442	2432.9	191.05611	6508	77-95-2	C00296	HMDB03072
18392	theobromine	Xenobiotics	Xanthine Metabolism	LC/MS Pos Early	100000445	1600	181.07201	5429	83-67-0	C07480	HMDB02825
18254	paraxanthine	Xenobiotics	Xanthine Metabolism	LC/MS Neg	100000453	2279	179.05745	4687	611-59-6	C13747	HMDB01860
18349	indolelactate	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100000463	2286	204.06661	92904	832-97-3	C02043	HMDB00671
27672	3-indoxyl sulfate	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100000467	2222.2	212.0023	10258	2642-37-7		HMDB00682
33422	gamma-glutamylphenylalanine	Peptide	Gamma-glutamyl Amino Acid	LC/MS Neg	100000491	1825	293.11429	111299	7432-24-8		HMDB00594
22116	4-methyl-2-oxopentanoate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100000551	2170	129.05571	70	816-66-0	C00233	HMDB00695
20675	1,5-anhydroglucitol (1,5-AG)	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	LC/MS Neg	100000580	802	163.06119	64960	154-58-5	C07326	HMDB02712
52449	1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	Lipid	Phosphatidylinositol (PI)	LC/MS Polar	100000616	870	885.54948		383907-33-3		HMDB09815
34445	sphingosine 1-phosphate	Lipid	Sphingosines	LC/MS Pos Late	100000626	1375	380.25604	5283560	26993-30-6	C06124	HMDB00277
19260	1-oleoyl-GPS (18:1)	Lipid	Lysophospholipid	LC/MS Neg	100000630	5607	522.28374	9547099	326589-90-6		HMDB61694
19265	1-stearoyl-2-oleoyl-GPS (18:0/18:1)	Lipid	Phosphatidylserine (PS)	LC/MS Pos Late	100000639	3000	790.55926	9547087			HMDB10163
19324	1-stearoyl-GPI (18:0)	Lipid	Lysophospholipid	LC/MS Neg	100000656	5794	599.32018		796963-93-4		HMDB61696
19130	1,2-dipalmitoyl-GPC (16:0/16:0)	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100000657	2450	734.56944	452110	63-89-8		HMDB00564
44675	docosahexaenoate (DHA; 22:6n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	100000665	5525	327.23295	445580	6217-54-5	C06429	HMDB02183
19258	1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100000672	2250	706.53813	129657	69525-80-0		HMDB07869
21320	ofloxacin	Xenobiotics	Drug - Antibiotic	LC/MS Neg	100000673	3600	360.1365	4583	82419-36-1	C07321	HMDB01929
57614	ciprofloxacin	Xenobiotics	Drug - Antibiotic	LC/MS Neg	100000687	2724	392.12633	4011971;2764	85721-33-1	C05349
22132	alpha-hydroxyisocaproate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100000706	1840	131.07136	83697	10303-64-7	C03264	HMDB00746
20676	maleate	Lipid	Fatty Acid, Dicarboxylate	LC/MS Polar	100000707	2640	115.00368	444266	110-16-7	C01384	HMDB00176
44656	isovalerate (i5:0)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100000708	1564	101.0608	10430	503-74-2	C08262	HMDB00718
44620	4-acetylphenol sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100000711	2375	215.00196	4684006
48114	1-methylguanidine	Amino Acid	Guanidino and Acetamido Metabolism	LC/MS Pos Early	100000715	2149	74.07127	10111	22661-87-6	C02294	HMDB01522
22036	2-hydroxyoctanoate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100000743	3736.8	159.10266	94180	617-73-2		HMDB02264
22001	3-hydroxyoctanoate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100000773	3446	159.10266	26613	88930-08-9		HMDB01954
22130	phenyllactate (PLA)	Amino Acid	Phenylalanine Metabolism	LC/MS Neg	100000774	2208	165.05571	3848	828-01-3	C05607	HMDB00779
44681	palmitoylcarnitine (C16)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	LC/MS Pos Late	100000776	1425	400.34214	461	6865-14-1	C02990	HMDB00222
32328	hexanoylcarnitine (C6)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	LC/MS Pos Early	100000781	3358	260.18564	6426853	6920-35-0		HMDB00705
22206	theanine	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100000784	2180	175.10772	439378	3081-61-6	C01047	HMDB34365
22185	N-acetylaspartate (NAA)	Amino Acid	Alanine and Aspartate Metabolism	LC/MS Polar	100000787	3143	174.04079	65065	997-55-7;997-55-7	C01042	HMDB00812
32425	dehydroepiandrosterone sulfate (DHEA-S)	Lipid	Androgenic Steroids	LC/MS Neg	100000792	4745	367.15846	12594	651-48-9	C04555	HMDB01032
32198	acetylcarnitine (C2)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Short Chain)	LC/MS Pos Early	100000802	2282	204.12304	1	5080-50-2	C02571	HMDB00201
22176	cysteine s-sulfate	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Pos Early	100000808	565	201.98384	115015	1637-71-4	C05824	HMDB00731
21127	1-palmitoylglycerol (16:0)	Lipid	Monoacylglycerol	LC/MS Neg	100000827	6550	255.23293	14900	542-44-9		HMDB31074
20693	tartronate (hydroxymalonate)	Xenobiotics	Food Component/Plant	LC/MS Neg	100000840	610	118.99859	45	80-69-3	C02287	HMDB35227
20694	oxalate (ethanedioate)	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	LC/MS Neg	100000841	603	88.98803	971	144-62-7	C00209	HMDB02329
20699	erythritol	Xenobiotics	Food Component/Plant	LC/MS Polar	100000846	1491	167.05611	222285	149-32-6	C00503	HMDB02994
21151	saccharin	Xenobiotics	Food Component/Plant	LC/MS Neg	100000870	2000	181.99173	5143	81-07-2	D01085	HMDB29723
21025	iminodiacetate (IDA)	Xenobiotics	Chemical	LC/MS Pos Early	100000900	830	134.04479	8897	142-73-4	C19911	HMDB11753
44526	3-methyl-2-oxobutyrate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100000936	1465	115.04006	49	3715-29-5	C00141	HMDB00019
21239	8-hydroxyoctanoate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100000956	2300	159.10266	69820	764-89-6		HMDB61914
22137	homoarginine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	100000961	2882	189.13461	9085	156-86-5	C01924	HMDB00670
22138	homocitrulline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	100000963	1908	190.11862	65072	1190-49-4	C02427	HMDB00679
22154	bradykinin	Peptide	Polypeptide	LC/MS Pos Late	100000967	792	530.78798	439201	58-82-2	C00306	HMDB04246
32506	2-linoleoylglycerol (18:2)	Lipid	Monoacylglycerol	LC/MS Neg	100000987	6250	279.23293	5365676	3443-82-1		HMDB11538
22053	3-hydroxydecanoate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100000997	4634.7	187.13396	26612	5561-87-5		HMDB02203
22163	EDTA	Xenobiotics	Chemical	LC/MS Neg	100001002	643	291.08339	6049	60-00-4	C00284	HMDB15109
27710	N-acetylglycine	Amino Acid	Glycine, Serine and Threonine Metabolism	LC/MS Pos Early	100001006	826	118.04987	10972	543-24-8		HMDB00532
27738	threonate	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	LC/MS Polar	100001022	2384	135.02989	151152	70753-61-6	C01620	HMDB00943
27719	galactonate	Carbohydrate	Fructose, Mannose and Galactose Metabolism	LC/MS Polar	100001026	3085	195.05102	128869	299-28-5	C00880	HMDB00565
27414	beta-sitosterol	Lipid	Sterol	LC/MS Pos Late	100001033	3054	397.38289	222284	83-46-5	C01753	HMDB00852
27513	indoleacetate	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100001034	2200	174.05605	802	6505-45-9	C00954	HMDB00197
27447	1-linoleoylglycerol (18:2)	Lipid	Monoacylglycerol	LC/MS Neg	100001040	6477	279.23293	5283469	2277-28-3
30460	1-methylhistidine	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100001051	2755	170.09241	92105	332-80-9	C01152	HMDB00001
33441	isobutyrylcarnitine (C4)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Pos Early	100001055	2810	232.15434	168379	25518-49-4		HMDB00736
31912	glycolithocholate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100001064	5357.1	432.31193	115245	474-74-8	C15557	HMDB00698
31591	androsterone sulfate	Lipid	Androgenic Steroids	LC/MS Neg	100001073	5022	369.17411	159663	2479-86-9		HMDB02759
32405	indolepropionate	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100001083	2795	188.0717	3744	830-96-6		HMDB02302
31536	N-(2-furoyl)glycine	Xenobiotics	Food Component/Plant	LC/MS Neg	100001086	1525	168.03023	21863	5657-19-2;5657-19-2		HMDB00439
32401	trigonelline (N'-methylnicotinate)	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	LC/MS Pos Early	100001092	1388	138.05496	5570	535-83-1	C01004	HMDB00875
32388	dodecanedioate (C12-DC)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100001102	2990	229.14453	12736	693-23-2	C02678	HMDB00623
32390	N-acetyltyrosine	Amino Acid	Tyrosine Metabolism	LC/MS Neg	100001104	1680	222.07718	68310	537-55-3		HMDB00866
32391	1,3-dimethylurate	Xenobiotics	Xanthine Metabolism	LC/MS Neg	100001106	1671.4	195.05236	70346	944-73-0		HMDB01857
32445	3-methylxanthine	Xenobiotics	Xanthine Metabolism	LC/MS Neg	100001108	1700	165.0418	70639	1076-22-8	C16357	HMDB01886
31555	pyridoxate	Cofactors and Vitamins	Vitamin B6 Metabolism	LC/MS Neg	100001121	2185	182.04588	6723	82-82-6	C00847	HMDB00017
43829	gamma-glutamylvaline	Peptide	Gamma-glutamyl Amino Acid	LC/MS Neg	100001126	1072	245.11429	7015683	2746-34-1		HMDB11172
32396	phenolphthalein beta-D-glucuronide	Xenobiotics	Chemical	LC/MS Neg	100001139	3520	493.11402	3032634	6820-54-8
31943	3-hydroxysebacate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100001145	1282	217.10814	3017884	73141-46-5		HMDB00350
31938	5-hydroxyhexanoate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100001148	1267	131.07136	170748	44843-89-2		HMDB00525
31932	propionylglycine	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	LC/MS Neg	100001150	960	130.05096	98681	21709-90-0		HMDB00783
32452	propionylcarnitine (C3)	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	LC/MS Pos Early	100001162	2590	218.13869	107738	17298-37-2	C03017	HMDB00824
35127	pro-hydroxy-pro	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	100001167	2128	229.11829	11673055	18684-24-7		HMDB06695
32397	3-hydroxy-2-ethylpropionate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100001170	975	117.05571	188979	4374-62-3		HMDB00396
31787	3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100001178	2800	239.09249	123979	86879-39-2		HMDB61112
32504	docosapentaenoate (n3 DPA; 22:5n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	100001181	5571	329.2486	6441454	2234-74-4	C16513	HMDB06528
32415	docosadienoate (22:2n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	100001182	6034	335.29555	5282807	7370-49-2	C16533	HMDB61714
32980	adrenate (22:4n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	100001193	5678	331.26425	5497181	2091-25-0	C16527	HMDB02226
32497	10-undecenoate (11:1n1)	Lipid	Medium Chain Fatty Acid	LC/MS Neg	100001197	5085.8	183.13905	14891	1333-28-4	C13910	HMDB33724
32418	myristoleate (14:1n5)	Lipid	Long Chain Monounsaturated Fatty Acid	LC/MS Neg	100001198	5346.9	225.186	5281119	544-64-9	C08322	HMDB02000
32349	4-imidazoleacetate	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100001207	2055	127.05021	96215	645-65-8	C02835	HMDB02024
32350	1-methyl-4-imidazoleacetate	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100001208	2064	141.06586	75810	2625-49-2	C05828	HMDB02820
32398	sebacate (C10-DC)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100001211	1788	201.11323	5192	111-20-6	C08277	HMDB00792
33969	stearidonate (18:4n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	100001229	5395	275.20165	5312508	111174-40-4	C16300	HMDB06547
33968	5-dodecenoate (12:1n7)	Lipid	Medium Chain Fatty Acid	LC/MS Neg	100001232	5224	197.1547	5312378	2430-94-6		HMDB00529
33962	bradykinin, hydroxy-pro(3)	Peptide	Polypeptide	LC/MS Pos Late	100001237	776	538.78544	169947	37642-65-2		HMDB11728
33936	octanoylcarnitine (C8)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	LC/MS Pos Late	100001247	950	288.21694	123701	3671-77-0	C02838	HMDB00791
33983	tauro-beta-muricholate	Lipid	Primary Bile Acid Metabolism	LC/MS Neg	100001250	4774	514.28439	168408	25696-60-0		HMDB00932
33941	decanoylcarnitine (C10)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	LC/MS Pos Late	100001251	1130	316.24824	10245190	1492-27-9		HMDB00651
33959	N-acetyltryptophan	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100001254	2630	245.09316	700653	1218-34-4	C03137	HMDB13713
33950	N-acetylphenylalanine	Amino Acid	Phenylalanine Metabolism	LC/MS Neg	100001256	2597	206.08226	74839	2018-61-3	C03519	HMDB00512
33942	N-acetylasparagine	Amino Acid	Alanine and Aspartate Metabolism	LC/MS Polar	100001257	2250	173.05678	99715	4033-40-3		HMDB06028
33934	gamma-glutamyl-epsilon-lysine	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	100001262	2725	276.1554	7015685	17105-15-6		HMDB03869
33955	1-palmitoyl-GPC (16:0)	Lipid	Lysophospholipid	LC/MS Pos Late	100001263	1525	496.33977	86554	17364-16-8		HMDB10382
33953	N-acetylarginine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	100001266	2245	217.12952	67427	155-84-0	C02562	HMDB04620
33935	piperine	Xenobiotics	Food Component/Plant	LC/MS Pos Late	100001267	1168	286.14377	638024	94-62-2	C03882	HMDB29377
33997	campesterol	Lipid	Sterol	LC/MS Pos Late	100001269	2873	383.36724	173183	474-62-4	C01789	HMDB02869
33961	1-stearoyl-GPC (18:0)	Lipid	Lysophospholipid	LC/MS Pos Late	100001271	1606	524.37107	497299	19420-57-6		HMDB10384
48258	1-oleoyl-GPC (18:1)	Lipid	Lysophospholipid	LC/MS Pos Late	100001272	1540	522.35542	16081932	19420-56-5		HMDB02815
33939	N-acetylthreonine	Amino Acid	Glycine, Serine and Threonine Metabolism	LC/MS Pos Early	100001274	1040	162.07609	152204	17093-74-2		HMDB62557
33967	N-acetylisoleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Pos Early	100001276	2600	174.11247	306109	3077-46-1		HMDB61684
33972	10-nonadecenoate (19:1n9)	Lipid	Long Chain Monounsaturated Fatty Acid	LC/MS Neg	100001277	5780	295.26425	5312513	73033-09-7		HMDB13622
33971	10-heptadecenoate (17:1n7)	Lipid	Long Chain Monounsaturated Fatty Acid	LC/MS Neg	100001278	5555	267.23295	5312435	29743-97-3		HMDB60038
34093	hyocholate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100001279	5046	407.28029	92805	547-75-1	C17649	HMDB00760
33973	epiandrosterone sulfate	Lipid	Androgenic Steroids	LC/MS Neg	100001287	4855	369.17411	9929317	22229-22-7
34420	bradykinin, des-arg(9)	Peptide	Polypeptide	LC/MS Neg	100001292	4250	902.45301	105044	15958-92-6	C00306	HMDB04246
33946	N-acetylhistidine	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100001293	2065	198.08732	75619	39145-52-3	C02997	HMDB32055
33949	gamma-glutamylglycine	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	100001294	1535	205.0819	165527	1948-29-4		HMDB11667
33947	gamma-glutamyltryptophan	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	100001295	2975	334.13975	3989307	66471-20-3		HMDB29160
34384	stachydrine	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100001296	1440	144.10191	115244	4136-37-2	C10172	HMDB04827
33937	alpha-hydroxyisovalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100001300	1126	117.05571	99823	600-37-3		HMDB00407
32882	hydroxybupropion	Xenobiotics	Drug - Psychoactive	LC/MS Pos Late	100001309	750	256.10989	446			HMDB12235
44872	gamma-glutamylmethionine	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	100001313	2640	279.10092	7009567	17663-87-5		HMDB29155
33364	gamma-glutamylthreonine	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	100001314	1750	249.10812	76078708	5652-48-2		HMDB29159
36103	p-cresol sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100001315	2890	187.00705	4615423	3233-57-7		HMDB11635
33139	pioglitazone	Xenobiotics	Drug - Metabolic	LC/MS Pos Early	100001317	3240	357.12674	4829	112529-15-4	C07675	HMDB15264
42420	erythronate*	Carbohydrate	Aminosugar Metabolism	LC/MS Polar	100001320	2186	135.02989	2781043	88759-55-1		HMDB00613
57709	Fibrinopeptide A*	Peptide	Fibrinogen Cleavage Peptide	LC/MS Neg	100001322	2474	766.83533	16133137	25422-31-5
31548	Fibrinopeptide A, des-ala(1)*	Peptide	Fibrinogen Cleavage Peptide	LC/MS Neg	100001323	2535	731.31677
57712	Fibrinopeptide A, phosphono-ser(3)*	Peptide	Fibrinogen Cleavage Peptide	LC/MS Neg	100001324	2016	806.81849		886023-52-5
57711	HWESASXX*	Peptide	Polypeptide	LC/MS Neg	100001327	3722	940.4534
62508	HXGXA*	Peptide	Polypeptide	LC/MS Neg	100001330	3600	508.2889
33384	salicyluric glucuronide*	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	100001332	1463	370.07797
34387	N-acetylproline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	100001334	1695	158.08117	322640	1074-79-9
33587	eicosenoate (20:1)	Lipid	Long Chain Monounsaturated Fatty Acid	LC/MS Neg	100001335	5950	309.2799	5282768		C16526	HMDB02231
34035	linolenate [alpha or gamma; (18:3n3 or 6)]	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	100001337	5450	277.2173	5280934		C06426	HMDB03073
46173	aconitate [cis or trans]	Energy	TCA Cycle	LC/MS Neg	100001359	580	173.00916
34109	metoprolol acid metabolite*	Xenobiotics	Drug - Cardiovascular	LC/MS Pos Early	100001385	2950	268.15434	62936	56392-14-4
41754	heme	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	LC/MS Pos Late	100001386	1124	616.1762	26945	14875-96-8	C00032	HMDB03178
34409	stearoylcarnitine (C18)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	LC/MS Pos Late	100001391	1485	428.37344	6426855	18822-91-8		HMDB00848
34534	laurylcarnitine (C12)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	LC/MS Pos Late	100001392	1235	344.27954	10427569	25518-54-1		HMDB02250
34407	isovalerylcarnitine (C5)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Pos Early	100001393	3085	246.16999	6426851	31023-24-2		HMDB00688
34419	1-linoleoyl-GPC (18:2)	Lipid	Lysophospholipid	LC/MS Pos Late	100001395	1465	520.33977	11988421		C04100	HMDB10386
34390	7-methylxanthine	Xenobiotics	Xanthine Metabolism	LC/MS Pos Early	100001396	1350	167.05636	68374	552-62-5	C16353	HMDB01991
34404	1,3,7-trimethylurate	Xenobiotics	Xanthine Metabolism	LC/MS Neg	100001397	1985	209.06801	79437	5415-44-1	C16361	HMDB02123
34400	1,7-dimethylurate	Xenobiotics	Xanthine Metabolism	LC/MS Polar	100001399	1417.2	195.05236	91611	33868-03-0	C16356	HMDB11103
34395	1-methylurate	Xenobiotics	Xanthine Metabolism	LC/MS Pos Early	100001400	1461	183.05127	69726	708-79-2	C16359	HMDB03099
34424	5-acetylamino-6-amino-3-methyluracil	Xenobiotics	Xanthine Metabolism	LC/MS Polar	100001403	1710	197.06801	88299	1196153-01-1	C16366	HMDB04400
34389	1-methylxanthine	Xenobiotics	Xanthine Metabolism	LC/MS Pos Early	100001405	1500	167.05636	80220	6136-37-4	C16358	HMDB10738
48351	N1-methylinosine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	LC/MS Pos Early	100001409	1430	283.1037	65095	20245-33-4		HMDB02721
35137	N2,N2-dimethylguanosine	Nucleotide	Purine Metabolism, Guanine containing	LC/MS Pos Early	100001412	2210	312.13025	92919	2140-67-2		HMDB04824
35157	N6-carbamoylthreonyladenosine	Nucleotide	Purine Metabolism, Adenine containing	LC/MS Neg	100001415	2164	411.12698	161466	24719-82-2		HMDB41623
35172	orotidine	Nucleotide	Pyrimidine Metabolism, Orotate containing	LC/MS Polar	100001416	2250	287.05209	92751	314-50-1		HMDB00788
35126	phenylacetylglutamine	Peptide	Acetylated Peptides	LC/MS Neg	100001417	2330	263.10373	92258	28047-15-6	C04148	HMDB06344
35527	4-hydroxyhippurate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100001423	1475	194.04588	151012	2482-25-9		HMDB13678
61833	5,6-dihydrouridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	LC/MS Neg	100001425	1119	245.07791	94312	5627-05-4
62924	3-(3-amino-3-carboxypropyl)uridine*	Nucleotide	Pyrimidine Metabolism, Uracil containing	LC/MS Neg	100001426	1369	344.10993	171198	52745-94-5
34397	1-arachidonylglycerol (20:4)	Lipid	Monoacylglycerol	LC/MS Neg	100001433	6250	303.23293	5282281	35474-99-8	C13857	HMDB11549
34393	1-linolenoylglycerol (18:3)	Lipid	Monoacylglycerol	LC/MS Neg	100001435	6214	277.21728	53480978	124151-74-2		HMDB11569
35159	cysteine-glutathione disulfide	Amino Acid	Glutathione Metabolism	LC/MS Pos Early	100001437	2465	427.09519	4247235	13081-14-6		HMDB00656
34428	1-palmitoyl-GPA (16:0)	Lipid	Lysophospholipid	LC/MS Neg	100001445	5600	409.23606	6419701	17618-08-5	C04036	HMDB00327
35136	5-methyluridine (ribothymidine)	Nucleotide	Pyrimidine Metabolism, Uracil containing	LC/MS Neg	100001446	1778.1	257.07791	445408	1463-10-1		HMDB00884
35107	isovalerylglycine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100001452	1950	158.08226	546304	16284-60-9		HMDB00678
35114	7-methylguanine	Nucleotide	Purine Metabolism, Guanine containing	LC/MS Pos Early	100001456	2175	166.07234	11361	578-76-7	C02242	HMDB00897
42398	1-stearoyl-GPE (18:0)	Lipid	Lysophospholipid	LC/MS Pos Late	100001461	1626	482.32412	9547068	69747-55-3		HMDB11130
35132	3-methylcytidine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	LC/MS Pos Early	100001466	2176	258.10845	159649	21028-20-6
40469	N1-Methyl-2-pyridone-5-carboxamide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	LC/MS Neg	100001468	1668	151.0513	69698	701-44-0	C05842	HMDB04193
34456	gamma-glutamylisoleucine*	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	100001485	2940	261.1445	14253342			HMDB11170
35160	oleoylcarnitine (C18:1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	LC/MS Pos Late	100001501	1423	426.35779	6441392	38677-66-6		HMDB05065
37092	gamma-glutamyl-2-aminobutyrate	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	100001502	2380	233.1132		16869-42-4
45095	2-methylbutyrylcarnitine (C5)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Pos Early	100001509	3050	246.16999	6426901	31023-25-3		HMDB00378
32553	phenol sulfate	Amino Acid	Tyrosine Metabolism	LC/MS Neg	100001510	2156	172.9914	74426	937-34-8	C02180	HMDB60015
33230	1-palmitoleoyl-GPC (16:1)*	Lipid	Lysophospholipid	LC/MS Pos Late	100001511	1450	494.32412	24779461			HMDB10383
34598	nifedipine	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100001514	4980	345.10921	4485	21829-25-4	D00437,C07266
35661	lidocaine	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Pos Early	100001538	3250	235.18049	3676	137-58-6	D00358	HMDB14426
46225	pyroglutamine*	Amino Acid	Glutamate Metabolism	LC/MS Pos Early	100001540	1900	129.06586	134508	2353-44-8
36746	2-hydroxy-3-methylvalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100001541	1800	131.07136	164623	488-15-3		HMDB00317
33009	homostachydrine*	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100001550	1750	158.11756	441447	1195-94-4	C08283	HMDB33433
33228	1-arachidonoyl-GPC (20:4n6)*	Lipid	Lysophospholipid	LC/MS Pos Late	100001551	1460	544.33977			C05208	HMDB10395
35253	2-palmitoyl-GPC (16:0)*	Lipid	Lysophospholipid	LC/MS Neg	100001562	6215	570.34125	15061532			HMDB61702
35631	1-palmitoyl-GPE (16:0)	Lipid	Lysophospholipid	LC/MS Pos Late	100001567	1544	454.29282	9547069	53862-35-4		HMDB11503
35628	1-oleoyl-GPE (18:1)	Lipid	Lysophospholipid	LC/MS Neg	100001569	6125.1	478.29391	9547071	89576-29-4		HMDB11506
36600	1-linoleoyl-GPE (18:2)*	Lipid	Lysophospholipid	LC/MS Pos Late	100001570	1482	478.29282	52925130			HMDB11507
35186	1-arachidonoyl-GPE (20:4n6)*	Lipid	Lysophospholipid	LC/MS Pos Late	100001571	1470	502.29282	42607465			HMDB11517
48434	N-acetylcitrulline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Neg	100001577	940	216.09898	656979	33965-42-3	C15532	HMDB00856
35675	2-hydroxypalmitate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100001579	5511.2	271.22786	92836	764-67-0		HMDB31057
37478	docosapentaenoate (n6 DPA; 22:5n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	100001580	5624.5	329.2486	6441454	25182-74-5	C16513	HMDB01976
46957	gulonate*	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	LC/MS Polar	100001586	2750	195.05102	152304	20246-53-1	C00257	HMDB03290
35437	isobutyrylglycine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100001590	1420	144.06661	10855600	15926-18-8		HMDB00730
44664	glutarylcarnitine (C5-DC)	Amino Acid	Lysine Metabolism	LC/MS Pos Early	100001593	2393	276.14417	71464488	102636-82-8		HMDB13130
35428	tiglylcarnitine (C5:1-DC)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Pos Early	100001597	2962	244.15434	22833596	64191-86-2		HMDB02366
35322	hydroquinone sulfate	Xenobiotics	Drug - Topical Agents	LC/MS Neg	100001604	1395	188.98631	161220	123-31-9	C00530	HMDB02434
35320	catechol sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100001605	1906	188.98631	3083879	4918-96-1		HMDB59724
36776	7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	Lipid	Sterol	LC/MS Neg	100001609	5288.1	429.30103	3081085	115538-85-7	C17337	HMDB12458
36803	3beta,7alpha-dihydroxy-5-cholestenoate	Lipid	Sterol	LC/MS Neg	100001611	5275	431.31668	3081084	115538-84-6	C17335
35665	N-acetyl-aspartyl-glutamate (NAAG)	Amino Acid	Glutamate Metabolism	LC/MS Pos Early	100001612	1035	305.09795	5255	3106-85-2	C12270	HMDB01067
35669	tetradecanedioate (C14-DC)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100001613	3985	257.17583	13185	821-38-5		HMDB00872
35678	hexadecanedioate (C16-DC)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100001614	4615	285.20713	10459	505-54-4	C19615	HMDB00672
36754	octadecanedioate (C18-DC)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100001615	5043	313.23843	70095	871-70-5		HMDB00782
42395	undecanedioate (C11-DC)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100001617	2440	215.12888	15816	1852-04-6		HMDB00888
37455	glycerophosphoethanolamine	Lipid	Phospholipid Metabolism	LC/MS Pos Early	100001620	659	216.06315	123874	33049-08-0	C01233	HMDB00114
47155	glycerophosphoinositol*	Lipid	Phospholipid Metabolism	LC/MS Polar	100001621	3850	333.05922	167572	16824-65-0
35635	3-(3-hydroxyphenyl)propionate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100001624	1980	165.05571	91	621-54-5	C11457	HMDB00375
35651	ectoine	Xenobiotics	Chemical	LC/MS Pos Early	100001635	1980	143.08151	126041	96702-03-3	C06231
34214	1-arachidonoyl-GPI (20:4)*	Lipid	Lysophospholipid	LC/MS Neg	100001654	5482	619.28888				HMDB61690
35305	1-palmitoyl-GPI (16:0)	Lipid	Lysophospholipid	LC/MS Neg	100001655	5564	571.28888				HMDB61695
32620	glycolithocholate sulfate*	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100001657	5011	255.63073	72222	15324-64-8	C11301	HMDB02639
36850	taurolithocholate 3-sulfate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100001658	5027	280.62205	440071	64936-83-0	C03642	HMDB02580
36747	deoxycarnitine	Lipid	Carnitine Metabolism	LC/MS Pos Early	100001662	2052	146.11756	134	6249-56-5	C01181	HMDB01161
48130	N6-succinyladenosine	Nucleotide	Purine Metabolism, Adenine containing	LC/MS Neg	100001664	940	382.10043	165243	4542-23-8		HMDB00912
61868	1-ribosyl-imidazoleacetate*	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100001668	2006	259.09247	5117448	29605-99-0	C05131	HMDB02331
36751	N2-acetyllysine	Amino Acid	Lysine Metabolism	LC/MS Polar	100001721	3372.6	187.10881	92907	1946-82-3	C12989	HMDB00446
37073	alpha-hydroxycaproate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100001723	1920	131.07136	99824	6064-63-7		HMDB01624
62952	3,4-dihydroxybutyrate	Lipid	Fatty Acid, Dihydroxy	LC/MS Polar	100001730	2204	119.03498		51267-44-8
42087	indoleacetylglutamine	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100001731	2535	302.11463	25200879			HMDB13240
54907	hexanoylglutamine	Lipid	Fatty Acid Metabolism (Acyl Glutamine)	LC/MS Neg	100001733	2780	243.13503
36752	N6-acetyllysine	Amino Acid	Lysine Metabolism	LC/MS Polar	100001734	2612.6	187.10881	92832	692-04-6	C02727	HMDB00206
35718	dihomo-linolenate (20:3n3 or n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	100001739	5596	305.2486	5280581	17046-59-2	C03242	HMDB02925
46142	mannitol/sorbitol	Carbohydrate	Fructose, Mannose and Galactose Metabolism	LC/MS Polar	100001740	2320	181.07176	5780		C00794	HMDB00247
37097	tryptophan betaine	Amino Acid	Tryptophan Metabolism	LC/MS Pos Early	100001743	2673	247.14411	442106	20671-76-5	C09213	HMDB61115
36098	4-vinylphenol sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100001755	3320	199.00705	6426766	2628-17-3	C05627	HMDB62775
36099	4-ethylphenylsulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100001756	3580	201.0227	20822574	123-07-9	C13637	HMDB62551
36095	thymol sulfate	Xenobiotics	Food Component/Plant	LC/MS Neg	100001757	4410	229.054		89-83-8	C09908	HMDB01878
48428	pyrraline	Xenobiotics	Food Component/Plant	LC/MS Neg	100001767	2304	253.11938	122228	74509-14-1		HMDB33143
36713	N6-carboxymethyllysine	Carbohydrate	Advanced Glycation End-product	LC/MS Pos Early	100001768	2500	205.11829	123800	5746-04-3
36602	1-oleoyl-GPI (18:1)	Lipid	Lysophospholipid	LC/MS Neg	100001777	5599	597.30453
36594	1-linoleoyl-GPI (18:2)*	Lipid	Lysophospholipid	LC/MS Neg	100001778	5494	595.28888
46331	desmethylnaproxen	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	100001787	3045	215.07136	13393711	52079-10-4		HMDB13989
46106	desmethylnaproxen sulfate	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	100001788	2250	295.02818	184679
33173	2-hydroxyacetaminophen sulfate*	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	100001791	1674	246.00778	86290013
47031	2-methoxyacetaminophen sulfate*	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	100001793	1949	260.02343	86290014
33161	2-methoxyacetaminophen glucuronide*	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	100001795	1633	356.0987	14367271
34365	3-(cystein-S-yl)acetaminophen*	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Pos Early	100001797	2420	271.07471	5233914
36808	dimethylarginine (SDMA + ADMA)	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	100001810	2850	203.15026	123831	102783-24-4	C03626	HMDB01539
37063	gamma-glutamylalanine	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	100001843	1986	219.09755	440103	5875-41-2		HMDB29142
37076	N-acetylserine	Amino Acid	Glycine, Serine and Threonine Metabolism	LC/MS Polar	100001851	2000	146.04588	65249	97-14-3		HMDB02931
42448	1-stearoyl-2-oleoyl-GPE (18:0/18:1)	Lipid	Phosphatidylethanolamine (PE)	LC/MS Pos Late	100001856	2950	746.56944				HMDB08993
37181	4-allylphenol sulfate	Xenobiotics	Food Component/Plant	LC/MS Neg	100001868	3805	213.0227
42450	1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100001869	2400	810.60074	16219824	35418-59-8		HMDB08048
42449	1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	Lipid	Phosphatidylethanolamine (PE)	LC/MS Pos Late	100001870	2350	716.52248	9546747			HMDB05322
52235	1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	Lipid	Phosphatidylserine (PS)	LC/MS Pos Late	100001872	2565	812.54361				HMDB12383
52605	sphinganine-1-phosphate	Lipid	Sphingolipid Synthesis	LC/MS Pos Late	100001876	1431	382.27169	520	19794-97-9		HMDB01383
52234	glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	Lipid	Hexosylceramides (HCER)	LC/MS Pos Late	100001882	3053	728.6035
37033	carbamazepine	Xenobiotics	Drug - Neurological	LC/MS Pos Late	100001933	880	237.10224	2554	298-46-4	D00252	HMDB14704
37058	succinylcarnitine (C4-DC)	Energy	TCA Cycle	LC/MS Pos Early	100001948	2291	262.12852	71464481	256928-74-2		HMDB61717
32586	bilirubin (E,E)*	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	LC/MS Pos Late	100001950	1045	585.27076	5315454
47886	bilirubin (E,Z or Z,E)*	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	LC/MS Pos Late	100001951	1265	585.27076	5799469			HMDB00488
37431	N-methylproline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	100001956	1335	130.08626	557	475-11-6
57591	beta-cryptoxanthin	Cofactors and Vitamins	Vitamin A Metabolism	LC/MS Pos Late	100001977	2560	552.43257	6384256	472-70-8		HMDB33844
37190	5alpha-androstan-3beta,17beta-diol disulfate	Lipid	Androgenic Steroids	LC/MS Neg	100001987	3880	225.06965	242332	571-20-0	C12525	HMDB00493
37198	5alpha-pregnan-3beta,20alpha-diol disulfate	Lipid	Progestin Steroids	LC/MS Neg	100001988	3962	239.0853
32599	glycocholenate sulfate*	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100001989	4750	254.62291
32807	taurocholenate sulfate*	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100001990	4750	279.61422
37202	androstenediol (3beta,17beta) disulfate (1)	Lipid	Androgenic Steroids	LC/MS Neg	100001992	3740	224.06182	87120982		C04295	HMDB03818
32562	pregnenediol disulfate (C21H34O8S2)*	Lipid	Pregnenolone Steroids	LC/MS Neg	100001993	3868	238.07747
37203	androstenediol (3beta,17beta) disulfate (2)	Lipid	Androgenic Steroids	LC/MS Neg	100001994	4065	224.0624
46115	21-hydroxypregnenolone disulfate	Lipid	Pregnenolone Steroids	LC/MS Neg	100001999	3935	245.06711	134595	1164-98-3
37174	21-hydroxypregnenolone monosulfate (1)	Lipid	Pregnenolone Steroids	LC/MS Neg	100002003	4624	411.18468	174681	88378-34-1
37183	5alpha-androstan-3alpha,17alpha-diol monosulfate	Lipid	Androgenic Steroids	LC/MS Neg	100002008	5208	371.18976
37196	5alpha-pregnan-3beta,20beta-diol monosulfate (1)	Lipid	Progestin Steroids	LC/MS Neg	100002009	5180	399.22106
37200	5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	Lipid	Progestin Steroids	LC/MS Neg	100002014	5060	399.22106
46172	5alpha-pregnan-diol disulfate	Lipid	Progestin Steroids	LC/MS Neg	100002015	4310	239.0853	5127902
37184	5alpha-androstan-3alpha,17beta-diol disulfate	Lipid	Androgenic Steroids	LC/MS Neg	100002017	4275	225.06965
37186	5alpha-androstan-3alpha,17beta-diol monosulfate (1)	Lipid	Androgenic Steroids	LC/MS Neg	100002018	4925	371.18976
37187	5alpha-androstan-3beta,17alpha-diol disulfate	Lipid	Androgenic Steroids	LC/MS Neg	100002021	4215	225.06965
37192	5alpha-androstan-3beta,17beta-diol monosulfate (2)	Lipid	Androgenic Steroids	LC/MS Neg	100002024	4685	371.18976
37207	androstenediol (3alpha, 17alpha) monosulfate (2)	Lipid	Androgenic Steroids	LC/MS Neg	100002026	4712	369.17411
37209	androstenediol (3alpha, 17alpha) monosulfate (3)	Lipid	Androgenic Steroids	LC/MS Neg	100002027	5180	369.17411
37211	androstenediol (3beta,17beta) monosulfate (1)	Lipid	Androgenic Steroids	LC/MS Neg	100002028	4535	369.17411	13847309	521-17-5		HMDB03818
37210	androstenediol (3beta,17beta) monosulfate (2)	Lipid	Androgenic Steroids	LC/MS Neg	100002029	4500	369.17411
37480	5alpha-pregnan-3beta-ol,20-one sulfate	Lipid	Progestin Steroids	LC/MS Neg	100002035	5136	397.20541		7730-00-9
37445	4-hydroxycoumarin	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100002049	2470	161.02441	54682930	1076-38-6	C20414
32619	pregnenediol sulfate (C21H34O5S)*	Lipid	Pregnenolone Steroids	LC/MS Neg	100002067	5000	397.20541		1247-64-9
37253	2-hydroxyglutarate	Lipid	Fatty Acid, Dicarboxylate	LC/MS Pos Early	100002070	958	131.03389	43	40951-21-1	C02630	HMDB0059655
37236	Nimesulide	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	100002072	4347	307.03941	4495	51803-78-2	D01049
44876	gamma-CEHC	Cofactors and Vitamins	Tocopherol Metabolism	LC/MS Neg	100002094	3843	263.12888	133098	178167-75-4		HMDB01931
37432	N-acetyl-beta-alanine	Nucleotide	Pyrimidine Metabolism, Uracil containing	LC/MS Neg	100002102	773	130.05096	76406	3025-95-4	C01073
37529	sphingomyelin (d18:1/18:1, d18:2/18:0)	Lipid	Sphingomyelins	LC/MS Pos Late	100002106	2167	729.5905	6443882	108392-10-5		HMDB12101
37506	palmitoyl sphingomyelin (d18:1/16:0)	Lipid	Sphingomyelins	LC/MS Pos Late	100002107	2168	703.57485	9939941	6254-89-3
37443	cysteine sulfinic acid	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Pos Early	100002113	597	154.01686	109	207121-48-0	C00606	HMDB00996
39600	3-hydroxyhippurate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100002122	1687	194.04588	450268	1637-75-8		HMDB06116
38168	16a-hydroxy DHEA 3-sulfate	Lipid	Androgenic Steroids	LC/MS Neg	100002126	4240	383.15338
37482	17alpha-hydroxypregnenolone 3-sulfate	Lipid	Pregnenolone Steroids	LC/MS Neg	100002128	4800	411.18468	152971	28901-70-4		HMDB00416
38170	pregnenolone sulfate	Lipid	Pregnenolone Steroids	LC/MS Neg	100002129	5100	395.18976	105074	1247-64-9		HMDB00774
46297	5-HEPE	Lipid	Eicosanoid	LC/MS Neg	100002135	5316	317.21221	6439678	83952-40-3		HMDB05081
37372	5-HETE	Lipid	Eicosanoid	LC/MS Neg	100002137	5382	319.22786	5280733	73307-52-5	C04805	HMDB11134
32827	andro steroid monosulfate C19H28O6S (1)*	Lipid	Androgenic Steroids	LC/MS Neg	100002152	3871	383.1534
38100	betonicine	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100002153	1012	160.09682	164642	515-25-3	C08269	HMDB29412
37459	ergothioneine	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100002154	850	230.09578	3032311	58511-63-0	C05570	HMDB03045
38116	indole-3-carboxylate	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100002185	1710	160.0404	69867	771-50-6	C19837	HMDB03320
37752	13-HODE + 9-HODE	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100002196	5275	295.22825
62919	tridecenedioate (C13:1-DC)*	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100002199	3051	241.14453
43256	N-acetyl-3-methylhistidine*	Amino Acid	Histidine Metabolism	LC/MS Neg	100002204	1360	210.08841	193270	37841-04-6
38122	nornicotine	Xenobiotics	Tobacco Metabolite	LC/MS Pos Early	100002224	2947	149.10733		5746-86-1
38125	4-cholesten-3-one	Lipid	Sterol	LC/MS Pos Late	100002227	2520	385.3465	91477	601-57-0	C00599	HMDB00921
43530	N-acetyl-cadaverine	Amino Acid	Lysine Metabolism	LC/MS Pos Early	100002249	2385	145.13354	189087	32343-73-0		HMDB02284
38637	cinnamoylglycine	Xenobiotics	Food Component/Plant	LC/MS Neg	100002253	3127	204.06661	709625	16534-24-0		HMDB11621
38178	cis-4-decenoylcarnitine (C10:1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	LC/MS Pos Late	100002259	1057	314.23259		98930-66-6
37020	carbamazepine 10,11-epoxide*	Xenobiotics	Drug - Neurological	LC/MS Pos Early	100002321	3125	253.09716	2555	36507-30-9	C07496	HMDB60658
37056	carbamazepine glucuronide*	Xenobiotics	Drug - Neurological	LC/MS Neg	100002322	3884	411.11977
38296	(16 or 17)-methylstearate (a19:0 or i19:0)	Lipid	Fatty Acid, Branched	LC/MS Neg	100002356	5993	297.2799	3083779	2724-59-6		HMDB37397
63109	2R,3R-dihydroxybutyrate	Lipid	Fatty Acid, Dihydroxy	LC/MS Polar	100002367	1543	119.03498	13120901	759-06-8		HMDB00498
43592	4-methylbenzenesulfonate	Xenobiotics	Chemical	LC/MS Neg	100002390	2350	171.01213	6101	104-15-4	C06677
38140	1-hydroxy-2-naphthalenecarboxylate	Xenobiotics	Drug - Other	LC/MS Neg	100002394	3930	187.04006	6844	86-48-6	C03203
38306	metformin	Xenobiotics	Drug - Metabolic	LC/MS Pos Early	100002405	2817	130.10873	4091	1115-70-4	C07151	HMDB01921
38276	2,3-dihydroxyisovalerate	Xenobiotics	Food Component/Plant	LC/MS Polar	100002417	1050	133.05063	677	1756-18-9	C04039	HMDB12141
57747	3-methylglutaconate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Polar	100002458	2700	99.04518	1551553	5746-90-7		HMDB00522
43582	5-(galactosylhydroxy)-L-lysine	Amino Acid	Lysine Metabolism	LC/MS Pos Early	100002462	2755	325.16055	123986	32448-36-5
62103	cysteinylglycine disulfide*	Amino Acid	Glutathione Metabolism	LC/MS Pos Early	100002466	2547	298.05259		70555-24-7		HMDB00709
57577	isoursodeoxycholate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100002488	4809	391.28538	127601	78919-26-3	C17662	HMDB00686
41726	oxypurinol	Xenobiotics	Drug - Metabolic	LC/MS Polar	100002489	1656	151.02615	4644	2465-59-0	D02365	HMDB00786
43493	formiminoglutamate	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100002500	1880	175.07134	439233	816-90-0	C00439	HMDB00854
40473	hydantoin-5-propionate	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100002514	1045	173.05569	782	5624-26-0	C05565	HMDB01212
46960	sulfate*	Xenobiotics	Chemical	LC/MS Neg	100002528	616	96.9601	1118	14808-79-8	C00059	HMDB01448
40499	4-hydroxyglutamate	Amino Acid	Glutamate Metabolism	LC/MS Pos Early	100002544	1141	164.05535	439902	2485-33-8	C03079	HMDB01344
63061	pantoate	Cofactors and Vitamins	Pantothenate and CoA Metabolism	LC/MS Neg	100002613	1143	147.06628	439251	470-29-1	C00522
38754	gamma-carboxyglutamate	Amino Acid	Glutamate Metabolism	LC/MS Pos Early	100002679	903	192.05027	40772	56271-99-9		HMDB41900
57782	norcotinine	Xenobiotics	Tobacco Metabolite	LC/MS Pos Early	100002715	2156	163.08659	413	17114-40-8		HMDB01297
38661	hydroxycotinine	Xenobiotics	Tobacco Metabolite	LC/MS Pos Early	100002717	2030	193.09716	10219774	34834-67-8		HMDB01390
38662	cotinine N-oxide	Xenobiotics	Tobacco Metabolite	LC/MS Pos Early	100002719	1377	193.09716	9815514	36508-80-2		HMDB01411
38600	omeprazole	Xenobiotics	Drug - Gastrointestinal	LC/MS Neg	100002725	4673	344.10743	4594	73590-58-6	C07324	HMDB01913
38658	atenolol	Xenobiotics	Drug - Cardiovascular	LC/MS Pos Early	100002726	2668	267.17032	2249	29122-68-7	D00235	HMDB01924
38669	diphenhydramine	Xenobiotics	Drug - Respiratory	LC/MS Pos Late	100002732	911	256.16959	3100	147-24-0	C06960	HMDB01927
39625	hydrochlorothiazide	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100002734	2046	295.95719	3639	58-93-5	C07041	HMDB01928
38595	ranitidine	Xenobiotics	Drug - Gastrointestinal	LC/MS Pos Early	100002735	2910	315.14854	3001055	66357-59-3	D00422	HMDB01930
39586	pseudoephedrine	Xenobiotics	Drug - Respiratory	LC/MS Pos Early	100002738	3041	166.12264	7028	90-82-4	C02765	HMDB01943
39592	S-methylcysteine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Neg	100002749	880	134.02812	24417	1187-84-4		HMDB02108
61846	androsterone glucuronide	Lipid	Androgenic Steroids	LC/MS Neg	100002761	4953	465.24939	114833	1852-43-3	C11135	HMDB02829
57461	argininate*	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	100002769	2150	176.10297	160437	157-07-3		HMDB03148
55072	2-oxoarginine*	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	100002784	1760	174.08732	558	3715-10-4	C03771	HMDB04225
62873	cis-4-decenoate (10:1n6)*	Lipid	Medium Chain Fatty Acid	LC/MS Neg	100002796	4890	169.1234	5312351	505-90-8
38619	atorvastatin (lipitor)	Xenobiotics	Drug - Metabolic	LC/MS Neg	100002802	5101	557.24572	60823	134523-03-8	D00887	HMDB05006
38599	celecoxib	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	100002805	5283	380.0686	2662	169590-42-5	C07589	HMDB05014
38686	gabapentin	Xenobiotics	Drug - Neurological	LC/MS Neg	100002806	2407.4	170.11865	3446	60142-96-3	D00332	HMDB05015
38623	venlafaxine	Xenobiotics	Drug - Psychoactive	LC/MS Pos Late	100002807	848	278.21146	5656	93413-69-5	C07187	HMDB05016
38609	pantoprazole	Xenobiotics	Drug - Gastrointestinal	LC/MS Neg	100002808	4398	382.06785	4679	102625-70-7	C11806	HMDB05017
39787	quetiapine	Xenobiotics	Drug - Psychoactive	LC/MS Pos Late	100002809	874	384.17403	5002	111974-69-7	C07397	HMDB05021
49617	1-lignoceroyl-GPC (24:0)	Lipid	Lysophospholipid	LC/MS Pos Late	100002873	1907	608.46497		325171-59-3		HMDB10405
52474	1-(1-enyl-palmitoyl)-GPC (P-16:0)*	Lipid	Lysoplasmalogen	LC/MS Pos Late	100002875	1547	480.34485	10917802			HMDB10407
62946	1-methyl-5-imidazoleacetate	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100002910	1989	141.06586	6451814	4200-48-0		HMDB04988
39379	glycoursodeoxycholate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100002911	5033	448.30684	12310288	64480-66-6		HMDB00708
39378	tauroursodeoxycholate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100002912	5025	498.28948	9848818	14605-22-2		HMDB00874
43378	S-methylcysteine sulfoxide	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Pos Early	100002927	900	152.03759	82142	6853-87-8		HMDB29432
38768	(14 or 15)-methylpalmitate (a17:0 or i17:0)	Lipid	Fatty Acid, Branched	LC/MS Neg	100002945	5695	269.24868
39831	eicosanedioate (C20-DC)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100002951	5200.9	341.26973	75502	2424-92-2
39837	docosadioate (C22-DC)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100002952	5291.8	369.30103	244872	505-56-6	C19625
39609	16-hydroxypalmitate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100002953	5236.2	271.22786	10466	506-13-8	C18218	HMDB06294
46798	oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	Lipid	Diacylglycerol	LC/MS Pos Late	100002989	3115	636.55616		106292-55-1		HMDB07219
46799	oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	Lipid	Diacylglycerol	LC/MS Pos Late	100002990	3223	636.55616		104346-53-4		HMDB07219
39270	1-(1-enyl-palmitoyl)-GPE (P-16:0)*	Lipid	Lysoplasmalogen	LC/MS Pos Late	100003000	1558	438.2979
39271	1-(1-enyl-stearoyl)-GPE (P-18:0)*	Lipid	Lysoplasmalogen	LC/MS Pos Late	100003001	1649	466.3292
39273	doxycycline	Xenobiotics	Drug - Antibiotic	LC/MS Pos Late	100003009	829	445.16055		24390-14-5
46223	linoleoylcarnitine (C18:2)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	LC/MS Pos Late	100003151	1430	424.34214	6450015	36816-10-1		HMDB06469
40045	leucylglycine	Peptide	Dipeptide	LC/MS Neg	100003185	2050	187.10881	79070	686-50-0		HMDB28929
63990	2-O-methylascorbic acid	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	LC/MS Polar	100003258	1512	189.04046	99779	17860-87-6
40007	carboxyethyl-GABA	Amino Acid	Glutamate Metabolism	LC/MS Pos Early	100003260	2085	176.09174	2572	4386-03-2		HMDB02201
54923	beta-citrylglutamate	Amino Acid	Glutamate Metabolism	LC/MS Neg	100003271	530	320.06232	72715786	73590-26-8	C20775
40406	trimethylamine N-oxide	Lipid	Phospholipid Metabolism	LC/MS Pos Early	100003397	2100	76.07569	1145	1184-78-7	C01104	HMDB00925
62860	N6-methyllysine	Amino Acid	Lysine Metabolism	LC/MS Pos Early	100003415	2831	161.12846	164795	1188-07-4	C02728	HMDB02038
40447	oseltamivir carboxylate (Ro-64-0802/02)	Xenobiotics	Drug - Antiviral	LC/MS Neg	100003431	2925	283.16633	449381	187227-45-8
40481	dihydroferulate	Xenobiotics	Food Component/Plant	LC/MS Neg	100003432	1928	195.06628	14340	1135-23-5
40730	imidazole propionate	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100003434	2263	141.06586	70630	1074-59-5		HMDB02271
40446	imipramine	Xenobiotics	Drug - Psychoactive	LC/MS Pos Late	100003437	997	281.20123	3696	113-52-0	C07049	HMDB01848
40459	citalopram/escitalopram	Xenobiotics	Drug - Psychoactive	LC/MS Pos Late	100003444	908	325.17107	146570	219861-08-2	D07913	HMDB05028
40450	duloxetine	Xenobiotics	Drug - Psychoactive	LC/MS Pos Late	100003445	993	298.12601	60835	116539-59-4
40437	mirtazapine	Xenobiotics	Drug - Psychoactive	LC/MS Pos Early	100003450	3353	266.16518	4205	61337-67-5	C07570,D00563
40708	pregnanediol-3-glucuronide	Lipid	Progestin Steroids	LC/MS Neg	100003470	5145	495.29634	123796	1852-49-9		HMDB10318
41494	alliin	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100003473	1470	178.05324	87310	556-27-4	C08265	HMDB33592
42027	histidylalanine	Peptide	Dipeptide	LC/MS Neg	100003542	970	225.09931	351667	16874-75-2		HMDB28878
40703	prolylglycine	Peptide	Dipeptide	LC/MS Pos Early	100003674	2136	173.09207	6426709	2578-57-6		HMDB11178
62864	mannonate*	Xenobiotics	Food Component/Plant	LC/MS Polar	100003695	2736	195.05102	3246006	642-99-9
41888	succinimide	Xenobiotics	Chemical	LC/MS Neg	100003696	1270	98.02475	11439	123-56-8	C07273
37252	norfluoxetine	Xenobiotics	Drug - Psychoactive	LC/MS Pos Late	100003769	1008	296.12568	4541	83891-03-6		HMDB60551
42002	lanthionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Pos Early	100003892	1730	209.05906	98504	3183-08-2
41220	2-stearoyl-GPE (18:0)*	Lipid	Lysophospholipid	LC/MS Neg	100003901	6350	480.30956				HMDB11129
42021	fexofenadine	Xenobiotics	Drug - Respiratory	LC/MS Pos Late	100004018	944	502.29519	3348	83799-24-0	C06999	HMDB05030
42990	verapamil	Xenobiotics	Drug - Cardiovascular	LC/MS Pos Late	100004028	945	455.29044	2520	152-11-4	D02356	HMDB01850
43488	N-acetylcarnosine	Amino Acid	Histidine Metabolism	LC/MS Polar	100004046	2287	267.10988	9903482	56353-15-2		HMDB12881
62278	histidine betaine (hercynine)*	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100004059	2094	198.12371	3083620	534-30-5
42574	glycohyocholate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100004083	5020	464.30176
42489	2-hydroxydecanoate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100004089	4840	187.13396	21488	5393-81-7
46146	4-methylcatechol sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100004111	2665	203.00196
46165	3-methyl catechol sulfate (1)	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100004112	2790	203.00196
43330	2-hydroxyibuprofen	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	100004169	3462	221.11831	10443535	51146-55-5		HMDB60920
43333	carboxyibuprofen	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Pos Late	100004171	810	254.13869	10444113	15935-54-3		HMDB60564
43334	O-desmethylvenlafaxine	Xenobiotics	Drug - Psychoactive	LC/MS Pos Early	100004173	3253	264.19581	125017	300827-87-6	D07793	HMDB60532
43335	warfarin	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100004175	3790	307.09758		5543-57-7	C01541	HMDB01935
43579	ketopioglitazone	Xenobiotics	Drug - Metabolic	LC/MS Neg	100004176	4165	369.09145		146062-45-5
43580	hydroxypioglitazone (M-IV)	Xenobiotics	Drug - Metabolic	LC/MS Pos Late	100004177	665	373.12166		146062-44-4
43507	3b-hydroxy-5-cholenoic acid	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100004182	5205	373.27482	92997	5255-17-4		HMDB00308
46111	guaiacol sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100004208	2344	203.00196	22473			HMDB60013
43343	2-aminooctanoate	Lipid	Fatty Acid, Amino	LC/MS Neg	100004227	3385	158.11865	69522	644-90-6		HMDB00991
43009	furosemide	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100004241	3515	329.00044	3440	54-31-9	D00331	HMDB01933
42381	gamma-CEHC glucuronide*	Cofactors and Vitamins	Tocopherol Metabolism	LC/MS Neg	100004243	2500	439.16097
43424	dimethyl sulfone	Xenobiotics	Chemical	LC/MS Pos Early	100004284	832	95.01613	6213	67-71-0	C11142	HMDB04983
43400	2-piperidinone	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100004295	1675	100.07569	12665	675-20-7		HMDB11749
43255	N-acetyl-1-methylhistidine*	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100004299	2100	212.1028	53859791
43374	indolin-2-one	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100004318	2575	134.06004	321710	59-48-3	C12312
43266	2-aminophenol sulfate	Xenobiotics	Food Component/Plant	LC/MS Neg	100004322	1677	188.0023	181670			HMDB61116
45966	1-stearoyl-GPS (18:0)*	Lipid	Lysophospholipid	LC/MS Neg	100004327	5800	524.29939	9547101
42463	sphingomyelin (d18:1/14:0, d16:1/16:0)*	Lipid	Sphingomyelins	LC/MS Pos Late	100004328	1998	675.54355	11433862			HMDB12097
42459	sphingomyelin (d18:2/16:0, d18:1/16:1)*	Lipid	Sphingomyelins	LC/MS Pos Late	100004329	2002	701.5592
46325	1-arachidonoyl-GPA (20:4)	Lipid	Lysophospholipid	LC/MS Neg	100004442	5499	457.23606		799268-65-8
43470	3-hydroxycotinine glucuronide	Xenobiotics	Tobacco Metabolite	LC/MS Neg	100004494	1745	367.11469	183115	132929-88-5		HMDB01204
43239	S-allylcysteine	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100004509	2690	162.05833	98280	21593-77-1		HMDB34323
43249	N-delta-acetylornithine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Neg	100004523	858	173.09316	9920500
43258	acisoga	Amino Acid	Polyamine Metabolism	LC/MS Neg	100004541	2297	183.1139	129397	106692-36-8
43761	2-aminoheptanoate	Lipid	Fatty Acid, Amino	LC/MS Pos Early	100004542	3160	146.11756	227939	1115-90-8
43549	N-formylanthranilic acid	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100004561	2150	164.03531	101399	3342-77-6	C05653	HMDB04089
43591	N2,N5-diacetylornithine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Neg	100004575	1367	215.10373	65977	39825-23-5
44878	methionine sulfone	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Pos Early	100004635	1250	182.04816	69961	820-10-0
45951	1-linolenoyl-GPC (18:3)*	Lipid	Lysophospholipid	LC/MS Pos Late	100005350	1410	518.32412				HMDB10388
45404	N-acetylalliin	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100005367	1348	220.06381
44621	1-(1-enyl-oleoyl)-GPE (P-18:1)*	Lipid	Lysoplasmalogen	LC/MS Pos Late	100005372	1566	464.3136
46227	fructosyllysine	Amino Acid	Lysine Metabolism	LC/MS Pos Early	100005373	2784	309.16563	123708	21291-40-7
47101	N-methylpipecolate	Xenobiotics	Bacterial/Fungal	LC/MS Pos Early	100005383	1932	144.10191	11286529	41447-17-0
45413	O-sulfo-L-tyrosine	Xenobiotics	Chemical	LC/MS Neg	100005384	990	260.02343	514186
47114	ferulic acid 4-sulfate	Xenobiotics	Food Component/Plant	LC/MS Neg	100005389	1200	273.00744	6305574	86321-29-1		HMDB29200
45415	3-(3-hydroxyphenyl)propionate sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100005391	1294	245.01253	187488	86321-32-6
47132	5alpha-androstan-3alpha,17beta-diol 17-glucuronide	Lipid	Androgenic Steroids	LC/MS Neg	100005396	4930	467.26504
47135	11-ketoetiocholanolone glucuronide	Lipid	Androgenic Steroids	LC/MS Neg	100005402	4280	479.22865		17181-16-7
47112	etiocholanolone glucuronide	Lipid	Androgenic Steroids	LC/MS Neg	100005403	4915	465.24939	270605	3602-09-3		HMDB04484
48187	N-acetyltaurine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Neg	100005466	800	166.01795	159864
47120	9-hydroxystearate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100005834	5384	299.25917	9570127	25498-28-6		HMDB61661
46548	3-methylglutarylcarnitine (2)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Pos Early	100005850	2687	290.15982	128145			HMDB00552
46144	methyl glucopyranoside (alpha + beta)	Xenobiotics	Food Component/Plant	LC/MS Neg	100005864	1070	193.0718
47883	o-hydroxyatorvastatin	Xenobiotics	Drug - Metabolic	LC/MS Neg	100005933	5015	573.24064	9808225	214217-86-4
63926	alpha-CMBHC glucuronide	Cofactors and Vitamins	Tocopherol Metabolism	LC/MS Neg	100005977	3664	495.22357
47154	sphingomyelin (d18:2/14:0, d18:1/14:1)*	Lipid	Sphingomyelins	LC/MS Pos Late	100005985	1860	673.5279
47153	sphingomyelin (d18:1/24:1, d18:2/24:0)*	Lipid	Sphingomyelins	LC/MS Pos Late	100005986	3200	813.68441		94359-13-4		HMDB12107
52358	N,O-didesmethylvenlafaxine glucuronide	Xenobiotics	Drug - Psychoactive	LC/MS Pos Early	100006001	2902	426.21225		1021933-99-2		HMDB61167
37185	5alpha-androstan-3alpha,17beta-diol monosulfate (2)	Lipid	Androgenic Steroids	LC/MS Neg	100006005	5080	371.18976
48182	myristoleoylcarnitine (C14:1)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	LC/MS Pos Late	100006051	1316	370.29471	90659872	889848-55-9
48433	N-formylphenylalanine	Amino Acid	Tyrosine Metabolism	LC/MS Neg	100006056	2360	192.06661	759256	13200-85-6
48441	4-hydroxychlorothalonil	Xenobiotics	Chemical	LC/MS Neg	100006082	4427	244.90817	34217	28343-61-5
48997	isoeugenol sulfate	Xenobiotics	Food Component/Plant	LC/MS Neg	100006089	3893	243.03326
48408	tyramine O-sulfate	Amino Acid	Tyrosine Metabolism	LC/MS Neg	100006092	1565	216.0336	153005	30223-92-8		HMDB06409
48448	3-hydroxypyridine sulfate	Xenobiotics	Chemical	LC/MS Neg	100006098	1595.5	173.98665		1955-23-3
48418	4-methylguaiacol sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100006105	2978	217.01761		756760-43-7
48696	maltol sulfate	Xenobiotics	Food Component/Plant	LC/MS Neg	100006106	1503	204.98123
48255	arabonate/xylonate	Carbohydrate	Pentose Metabolism	LC/MS Polar	100006115	2700	165.04046
48429	methyl-4-hydroxybenzoate sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100006116	2873	230.99688
48341	1-dihomo-linolenylglycerol (20:3)	Lipid	Monoacylglycerol	LC/MS Neg	100006121	6400	305.24858
48679	N-acetylhistamine	Amino Acid	Histidine Metabolism	LC/MS Pos Early	100006123	2287	154.09749	69602	673-49-4	C05135	HMDB13253
48733	vanillic alcohol sulfate	Amino Acid	Tyrosine Metabolism	LC/MS Neg	100006125	1808	233.01253		754920-02-0
48442	4-vinylguaiacol sulfate	Xenobiotics	Food Component/Plant	LC/MS Neg	100006126	3354	229.01761
54910	vanillactate	Amino Acid	Tyrosine Metabolism	LC/MS Neg	100006129	1625	211.06119	160637	2475-56-1		HMDB00913
48715	eugenol sulfate	Xenobiotics	Food Component/Plant	LC/MS Neg	100006171	3782	243.03326	180632	95480-60-7
48394	pregnanolone/allopregnanolone sulfate	Lipid	Progestin Steroids	LC/MS Neg	100006173	5160	397.20541
54784	chlorthalidone	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100006181	3600	337.00553	2732	77-36-1	D00272
48445	2-methoxyresorcinol sulfate	Xenobiotics	Chemical	LC/MS Neg	100006184	1863	218.99688		1446269-78-8
48841	p-cresol glucuronide*	Amino Acid	Tyrosine Metabolism	LC/MS Neg	100006191	2420	283.08232	154035	17680-99-8		HMDB11686
48569	acesulfame	Xenobiotics	Food Component/Plant	LC/MS Neg	100006203	1581	161.98665	36573	55589-62-3		HMDB33585
48680	N-acetyl sulfapyridine	Xenobiotics	Drug - Antibiotic	LC/MS Pos Early	100006229	2146	292.07504	58638	19077-98-6
48566	valsartan	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100006232	4228	434.21976	5650	137862-53-4
52372	perindopril	Xenobiotics	Drug - Cardiovascular	LC/MS Pos Late	100006237	904	369.2384	107807	82834-16-0	C07706,D03753	HMDB14928
53256	olmesartan	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100006239	3747	445.19936	158781	144689-24-7	D05246	HMDB14420
48698	6-hydroxyindole sulfate	Xenobiotics	Chemical	LC/MS Neg	100006260	2498	212.0023	122198196
48457	4-methoxyphenol sulfate	Amino Acid	Tyrosine Metabolism	LC/MS Neg	100006262	2412	203.00196		3233-60-1
48460	propyl 4-hydroxybenzoate sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100006264	3971	259.02818		162338-10-5
48490	sphingomyelin (d18:1/20:0, d16:1/22:0)*	Lipid	Sphingomyelins	LC/MS Pos Late	100006290	2800	759.6375				HMDB12102
48491	sphingomyelin (d18:1/20:1, d18:2/20:0)*	Lipid	Sphingomyelins	LC/MS Pos Late	100006292	2450	757.6218		222403-67-0
57481	sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)*	Lipid	Sphingomyelins	LC/MS Pos Late	100006293	2200	755.60615
48492	behenoyl sphingomyelin (d18:1/22:0)*	Lipid	Sphingomyelins	LC/MS Pos Late	100006294	3250	787.66876				HMDB12103
48493	sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	Lipid	Sphingomyelins	LC/MS Pos Late	100006295	2775	785.65311				HMDB12104
57477	sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*	Lipid	Sphingomyelins	LC/MS Pos Late	100006296	2350	783.63746
52433	sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	Lipid	Sphingomyelins	LC/MS Pos Late	100006314	2082	689.5592		121999-58-4
48407	dopamine 3-O-sulfate	Amino Acid	Tyrosine Metabolism	LC/MS Neg	100006361	1556.2	232.02845	122136		C13690	HMDB06275
48728	daidzein sulfate (2)	Xenobiotics	Food Component/Plant	LC/MS Neg	100006363	3330	333.00756
53230	3-hydroxyhexanoate	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100006367	1725	131.07136	151492	10191-24-9
52340	N-carbamoylalanine	Amino Acid	Alanine and Aspartate Metabolism	LC/MS Pos Early	100006369	950	133.06077	426409	77340-50-2
54805	3beta-hydroxy-5-cholestenoate	Lipid	Sterol	LC/MS Neg	100006370	5398	415.32177	165511	6561-58-6	C17333
48762	1,2,3-benzenetriol sulfate (2)	Xenobiotics	Chemical	LC/MS Neg	100006374	1709	204.98123
48763	3-methoxycatechol sulfate (1)	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100006375	2163	218.99688
48757	N-acetylkynurenine (2)	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100006378	2378	249.08808
48782	C-glycosyltryptophan	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100006379	1777	365.13542	10981970	180509-18-6
53241	tramadol	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Pos Early	100006381	3288	264.19581	33741	27203-92-5	C07153	HMDB14339
53239	O-desmethyltramadol	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Pos Early	100006382	3045	250.18016	130829	73986-53-5		HMDB60997
52357	O-desmethyltramadol glucuronide	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Pos Early	100006383	2741	426.21225		383891-39-2
54738	alpha-hydroxymetoprolol	Xenobiotics	Drug - Cardiovascular	LC/MS Pos Early	100006385	2900	284.18564	114962	56392-16-6		HMDB60994
48885	arabitol/xylitol	Carbohydrate	Pentose Metabolism	LC/MS Polar	100006430	1932.4	151.0612
46539	N-acetylglucosamine/N-acetylgalactosamine	Carbohydrate	Aminosugar Metabolism	LC/MS Pos Early	100006435	715	222.0972
52974	glycochenodeoxycholate 3-sulfate	Lipid	Primary Bile Acid Metabolism	LC/MS Neg	100006641	4820	263.62819
52975	glycodeoxycholate 3-sulfate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100006642	4875	263.62819
62889	taurodeoxycholic acid 3-sulfate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100006644	4850	288.61951
52747	phenol glucuronide	Amino Acid	Tyrosine Metabolism	LC/MS Neg	100006679	1800	269.06667	87235	17685-05-1		HMDB60014
52603	1,2-dilinoleoyl-GPC (18:2/18:2)	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100008903	2100	782.56944	5288075	998-06-1		HMDB08138
52438	1-stearoyl-2-oleoyl-GPC (18:0/18:1)	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100008904	2644	788.61639		56421-10-4		HMDB08038
52462	1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100008914	2200	782.56944	10747814	35418-58-7		HMDB07982
52610	1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100008915	2055	806.56944	6441886	59403-54-2		HMDB07991
52611	1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100008916	2300	834.60128		59403-52-0
52614	1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	Lipid	Plasmalogen	LC/MS Pos Late	100008919	3100	730.57452		144371-68-6		HMDB11375
52615	sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	Lipid	Sphingomyelins	LC/MS Pos Late	100008920	2350	717.5905		121999-64-2
52281	2-hydroxybutyrate/2-hydroxyisobutyrate	Amino Acid	Glutathione Metabolism	LC/MS Polar	100008928	1258	103.04006
52285	oleate/vaccenate (18:1)	Lipid	Long Chain Monounsaturated Fatty Acid	LC/MS Neg	100008930	5655	281.2486
52913	pregabalin	Xenobiotics	Drug - Neurological	LC/MS Pos Early	100008943	3123	160.13321	4715169	148553-50-8
52949	enalapril	Xenobiotics	Drug - Cardiovascular	LC/MS Pos Late	100008948	900	377.2071	3222	75847-73-3
52958	rivaroxaban	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100008950	4425	434.05829	6433119	366789-02-8
52431	1-palmitoleoylglycerol (16:1)*	Lipid	Monoacylglycerol	LC/MS Neg	100008952	6094	253.21727
52434	palmitoyl dihydrosphingomyelin (d18:0/16:0)*	Lipid	Dihydrosphingomyelins	LC/MS Pos Late	100008954	2290	705.5905	9939965
52436	tricosanoyl sphingomyelin (d18:1/23:0)*	Lipid	Sphingomyelins	LC/MS Pos Late	100008955	3350	801.68441				HMDB12105
52435	sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*	Lipid	Sphingomyelins	LC/MS Pos Late	100008956	3000	799.66868
52437	sphingomyelin (d18:2/24:1, d18:1/24:2)*	Lipid	Sphingomyelins	LC/MS Pos Late	100008957	2750	811.66868
52931	diclofenac	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	100008961	4903	294.0094		15307-86-5	C01690	HMDB14724
52948	amoxicillin	Xenobiotics	Drug - Antibiotic	LC/MS Neg	100008962	2365	364.09726	2171	26787-78-0	C06827	HMDB15193
52954	sitagliptin	Xenobiotics	Drug - Metabolic	LC/MS Neg	100008964	4485	468.11119	11306691	486460-32-6
52961	sildenafil	Xenobiotics	Drug - Cardiovascular	LC/MS Pos Late	100008971	946	475.2122	5212	139755-83-2	C07259,D08514	HMDB05039
52950	tadalafil	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100008974	4898	388.13028	4687521	171596-29-5
52446	1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	Lipid	Phosphatidylethanolamine (PE)	LC/MS Polar	100008976	750	742.5392	9546749			HMDB08994
52447	1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	Lipid	Phosphatidylethanolamine (PE)	LC/MS Polar	100008977	756	766.53922	5289133			HMDB09003
52452	1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	Lipid	Phosphatidylcholine (PC)	LC/MS Polar	100008980	850	830.59165
52470	1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100008984	2200	732.55378
52454	1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100008985	2285	784.58509
52464	1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	Lipid	Phosphatidylethanolamine (PE)	LC/MS Pos Late	100008990	2250	740.52248	9546800			HMDB05323
52465	1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	Lipid	Phosphatidylethanolamine (PE)	LC/MS Pos Late	100008991	2160	764.52248	9546799			HMDB05324
52467	1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	Lipid	Phosphatidylinositol (PI)	LC/MS Polar	100008993	892	857.51855				HMDB09789
52468	1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	Lipid	Phosphatidylinositol (PI)	LC/MS Polar	100008994	910	861.54985				HMDB09809
52473	gamma-tocopherol/beta-tocopherol	Cofactors and Vitamins	Tocopherol Metabolism	LC/MS Pos Late	100008998	2384	416.36427
52475	1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	Lipid	Plasmalogen	LC/MS Pos Late	100008999	2550	752.55887	9547058			HMDB05779
52673	1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	Lipid	Plasmalogen	LC/MS Pos Late	100009002	2300	724.52757				HMDB11352
52477	1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	Lipid	Plasmalogen	LC/MS Pos Late	100009005	2750	702.54322				HMDB11342
52478	1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	Lipid	Plasmalogen	LC/MS Pos Late	100009007	2550	744.59017
52682	1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	Lipid	Plasmalogen	LC/MS Pos Late	100009009	2300	742.57452				HMDB11211
52689	1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	Lipid	Plasmalogen	LC/MS Pos Late	100009014	2200	766.57452				HMDB11220
52495	sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*	Lipid	Sphingomyelins	LC/MS Pos Late	100009025	3000	773.65311
57473	sphingomyelin (d18:0/18:0, d19:0/17:0)*	Lipid	Dihydrosphingomyelins	LC/MS Pos Late	100009027	2500	733.6218				HMDB12087
52604	N-palmitoyl-sphinganine (d18:0/16:0)	Lipid	Dihydroceramides	LC/MS Pos Late	100009028	3090	540.53503	5283572	5966-29-0		HMDB11760
53010	lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	Lipid	Lactosylceramides (LCER)	LC/MS Pos Late	100009030	2527	862.62502		4201-62-1
54745	cetirizine	Xenobiotics	Drug - Respiratory	LC/MS Pos Late	100009034	1052	389.16265	2678	83881-51-0	C07778	HMDB05032
57365	myristoyl dihydrosphingomyelin (d18:0/14:0)*	Lipid	Dihydrosphingomyelins	LC/MS Pos Late	100009038	2060	677.5592				HMDB12085
52914	5-hydroxyindole sulfate	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100009042	1928	212.0023
52925	phenylacetylglutamate	Peptide	Acetylated Peptides	LC/MS Neg	100009045	1570	264.08774	11579826			HMDB59772
52669	1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*	Lipid	Phosphatidylinositol (PI)	LC/MS Polar	100009066	893	835.5342				HMDB09783
52677	1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	Lipid	Plasmalogen	LC/MS Pos Late	100009069	2400	700.52757				HMDB11343
52690	1-linoleoyl-GPA (18:2)*	Lipid	Lysophospholipid	LC/MS Neg	100009082	5483	433.23606				HMDB07856
52697	1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100009130	2100	832.58509				HMDB08123
52710	1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100009131	2000	806.56944				HMDB08147
53195	1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100009139	1950	754.53813				HMDB07883
52713	1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	Lipid	Plasmalogen	LC/MS Pos Late	100009160	2218	716.55887				HMDB11207
52716	1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	Lipid	Plasmalogen	LC/MS Pos Late	100009162	2550	718.57452	11146967			HMDB11206
52748	1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*	Lipid	Plasmalogen	LC/MS Pos Late	100009225	2750	728.55887				HMDB11376
54885	1-linoleoyl-GPG (18:2)*	Lipid	Lysophospholipid	LC/MS Neg	100009227	5516	507.27284
53231	thioproline	Xenobiotics	Chemical	LC/MS Pos Early	100009232	1250	134.02703	93176	34592-47-4
52944	palmitoylcholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	LC/MS Pos Late	100009233	1482	342.33666	151731
54736	phenylacetylmethionine	Peptide	Acetylated Peptides	LC/MS Neg	100009241	3620	266.08563
54800	mycophenolic acid	Xenobiotics	Drug - Antiinflammatory, Immunosuppressant	LC/MS Neg	100009253	4185	319.11871	446541	24280-93-1	C20380,D05096	HMDB15159
54792	mycophenolic acid glucuronide	Xenobiotics	Drug - Antiinflammatory, Immunosuppressant	LC/MS Neg	100009254	2627	495.1508	6442661
52983	glycochenodeoxycholate glucuronide (1)	Lipid	Primary Bile Acid Metabolism	LC/MS Neg	100009264	4806	311.66583
53013	glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	Lipid	Hexosylceramides (HCER)	LC/MS Pos Late	100009272	2623	700.5722
53031	methylsuccinoylcarnitine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Pos Early	100009275	2589	276.14417
53240	sulfamethoxazole	Xenobiotics	Drug - Antibiotic	LC/MS Pos Early	100009327	2405	254.05939	5329		D00285,C07315,D00447	HMDB15150
63590	ascorbic acid 2-sulfate	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	LC/MS Polar	100009329	3042	254.98162	86484
53260	oleoylcholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	LC/MS Pos Late	100009331	1449	368.35231
53261	arachidonoylcholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	LC/MS Pos Late	100009332	1390	390.33666
53263	docosahexaenoylcholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	LC/MS Pos Late	100009333	1378	414.33666
53262	dihomo-linolenoyl-choline	Lipid	Fatty Acid Metabolism (Acyl Choline)	LC/MS Pos Late	100009335	1424	392.35231
53254	caffeic acid sulfate	Xenobiotics	Food Component/Plant	LC/MS Polar	100009337	1307	258.99179				HMDB41708
53176	1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	Lipid	Phosphatidylcholine (PC)	LC/MS Pos Late	100009343	1939	780.55378				HMDB08141
57652	hexadecadienoate (16:2n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	100009394	5398	251.20165	13932172	28290-73-5		HMDB00477
53223	palmitoleoylcarnitine (C16:1)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	LC/MS Pos Late	100009406	1357	398.32649	71464547
53224	pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate)	LC/MS Pos Early	100009407	2773	304.17547
57585	4-acetamidobenzoate	Xenobiotics	Chemical	LC/MS Neg	100009413	1403	178.05096	19266	556-08-1	D03836
55017	4-hydroxyphenylacetylglutamine	Peptide	Acetylated Peptides	LC/MS Neg	100010850	1650	279.09864
57547	2,3-dihydroxy-2-methylbutyrate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100010869	787	133.05063	301941	14868-24-7		HMDB29576
57554	2'-O-methylcytidine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	LC/MS Pos Early	100010895	2411	258.10845	150971	2140-72-9
57655	2'-O-methyluridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	LC/MS Neg	100010896	1831	257.07791	102212	2140-76-3
55015	gamma-glutamyl-alpha-lysine	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	100010901	2784	276.1554	65254
54968	linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	Lipid	Diacylglycerol	LC/MS Pos Late	100010941	2720	634.54051
57564	perfluorooctanesulfonate (PFOS)	Xenobiotics	Chemical	LC/MS Polar	100010955	662	498.93021	74483	1763-23-1	C18142	HMDB59586
57416	N-palmitoyl-sphingadienine (d18:2/16:0)*	Lipid	Ceramides	LC/MS Pos Late	100015609	2490	536.50372
57659	N-palmitoylserine	Lipid	Endocannabinoid	LC/MS Neg	100015640	5557	342.26498	6453686	58725-46-5;474943-14-1
57453	glycosyl ceramide (d18:2/24:1, d18:1/24:2)*	Lipid	Hexosylceramides (HCER)	LC/MS Pos Late	100015745	3380	808.66609
57463	linoleoylcholine*	Lipid	Fatty Acid Metabolism (Acyl Choline)	LC/MS Pos Late	100015760	1388	366.33666
57810	nisinate (24:6n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	100015785	5657	355.26425	11792612	68378-49-4		HMDB02007
57476	sphingomyelin (d18:0/20:0, d16:0/22:0)*	Lipid	Dihydrosphingomyelins	LC/MS Pos Late	100015786	2850	761.65311
57475	sphingomyelin (d18:1/19:0, d19:1/18:0)*	Lipid	Sphingomyelins	LC/MS Pos Late	100015787	2550	745.62178
57474	sphingomyelin (d18:2/18:1)*	Lipid	Sphingomyelins	LC/MS Pos Late	100015788	2025	727.57485
57479	sphingomyelin (d18:2/24:2)*	Lipid	Sphingomyelins	LC/MS Pos Late	100015789	2400	809.65308
57480	sphingomyelin (d18:2/21:0, d16:2/23:0)*	Lipid	Sphingomyelins	LC/MS Pos Late	100015790	2500	771.63748
57482	sphingomyelin (d18:2/23:1)*	Lipid	Sphingomyelins	LC/MS Pos Late	100015791	2500	797.65308
57483	sphingomyelin (d17:2/16:0, d18:2/15:0)*	Lipid	Sphingomyelins	LC/MS Pos Late	100015793	1875	687.54355
57668	dexlansoprazole	Xenobiotics	Drug - Gastrointestinal	LC/MS Pos Late	100015794	827	370.08316	9578005	138530-94-6	D08903
57516	cerotoylcarnitine (C26)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	LC/MS Pos Late	100015835	1649	540.49864				HMDB06347
57641	levetiracetam	Xenobiotics	Drug - Neurological	LC/MS Neg	100015873	2540	169.09825	5284583	102767-28-2	D00709,C07841
57642	metronidazole	Xenobiotics	Drug - Antibiotic	LC/MS Neg	100015878	2339	170.05711	4173	73334-05-1	D00409	HMDB15052
57595	glycosyl ceramide (d18:1/20:0, d16:1/22:0)*	Lipid	Hexosylceramides (HCER)	LC/MS Pos Late	100015882	3414	756.6348
57671	moxifloxacin	Xenobiotics	Drug - Antibiotic	LC/MS Pos Early	100015905	3272	402.18236	152946	186826-86-8	D08237	HMDB14363
57687	N,N,N-trimethyl-5-aminovalerate	Amino Acid	Lysine Metabolism	LC/MS Pos Early	100015962	2186	160.13321	14274897
63152	ethyl alpha-glucopyranoside	Xenobiotics	Food Component/Plant	LC/MS Neg	100015965	1576	207.08741	428040	34625-23-5
57635	carotene diol (1)	Cofactors and Vitamins	Vitamin A Metabolism	LC/MS Pos Late	100015966	1720	568.42759
57636	carotene diol (2)	Cofactors and Vitamins	Vitamin A Metabolism	LC/MS Pos Late	100015967	1904	568.42793
57637	carotene diol (3)	Cofactors and Vitamins	Vitamin A Metabolism	LC/MS Pos Late	100015968	1948	568.42786
57699	cortolone glucuronide (1)	Lipid	Corticosteroids	LC/MS Neg	100015971	4600	541.26543
57707	fluconazole	Xenobiotics	Drug - Antibiotic	LC/MS Neg	100015972	3564	305.09679	3365	86386-73-4	D00322	HMDB14342
57814	(N(1) + N(8))-acetylspermidine	Amino Acid	Polyamine Metabolism	LC/MS Pos Early	100016038	3080	188.17574
61836	THC carboxylic acid	Xenobiotics	Drug - Psychoactive	LC/MS Neg	100016048	5263	343.19148	107885
61848	THC carboxylic acid glucuronide	Xenobiotics	Drug - Psychoactive	LC/MS Neg	100016049	5224	519.22357
61769	5-dodecenoylcarnitine (C12:1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	LC/MS Pos Late	100016069	1135	342.26389				HMDB13326
62277	hydroxy-CMPF*	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100019794	1516	255.08741
62733	3-hydroxyphenylacetoylglutamine	Peptide	Acetylated Peptides	LC/MS Neg	100019831	1825	279.09864
61700	2-hydroxyarachidate*	Lipid	Fatty Acid, Monohydroxy	LC/MS Neg	100019892	5990	327.29047	5225199
61858	ribulonate/xylulonate/lyxonate*	Carbohydrate	Pentose Metabolism	LC/MS Polar	100019968	2350	165.04046
61864	dodecenedioate (C12:1-DC)*	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100019972	2700	227.12887
61862	hexadecenedioate (C16:1-DC)*	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100019975	4380	283.19148
61861	octadecenedioate (C18:1-DC)	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100019978	4875	311.22279
61866	heptenedioate (C7:1-DC)*	Lipid	Fatty Acid, Dicarboxylate	LC/MS Polar	100019981	2816	157.05063
61860	octadecadienedioate (C18:2-DC)*	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100019982	4676	309.20714
61874	glucuronide of C12H22O4 (1)*	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Neg	100019984	2590	405.17662
61876	glucuronide of C14H26O4 (1)*	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Neg	100019986	3200	433.20793
61881	glucuronide of C10H18O2 (1)*	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Neg	100019990	2728	345.1555
61871	3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100020004	4000	267.12379	194501
61887	glucuronide of C10H18O2 (7)*	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Neg	100020014	3790	345.1555
61888	glucuronide of C10H18O2 (8)*	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Neg	100020015	3865	345.1555
62062	3-hydroxystachydrine*	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100020203	1049	160.09682	442640
62059	N-acetyl-2-aminooctanoate*	Lipid	Fatty Acid, Amino	LC/MS Neg	100020204	3943	200.12921	95555			HMDB59745
62060	hydroxyasparagine**	Amino Acid	Alanine and Aspartate Metabolism	LC/MS Pos Early	100020205	1149	149.05568	97663		C03124	HMDB32332
62071	perfluorooctanoate (PFOA)	Xenobiotics	Chemical	LC/MS Neg	100020208	5130	412.96642	9554			HMDB59587
62064	3-hydroxybutyroylglycine**	Lipid	Fatty Acid Metabolism (Acyl Glycine)	LC/MS Neg	100020211	889	160.06152
62066	glyco-beta-muricholate**	Lipid	Primary Bile Acid Metabolism	LC/MS Neg	100020214	4762	464.30176
62068	N-methylhydroxyproline**	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	100020215	1145	146.08118	9860390
62947	N,N,N-trimethyl-alanylproline betaine (TMAP)	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Neg	100020217	1596	289.1405
62863	3-formylindole	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100020219	2736	146.06004	10256	487-89-8	C08493	HMDB29737
62104	gamma-glutamylcitrulline*	Peptide	Gamma-glutamyl Amino Acid	LC/MS Pos Early	100020241	1644	305.14556
62106	N4-acetylsulfamethoxazole*	Xenobiotics	Drug - Antibiotic	LC/MS Neg	100020243	2489	294.0554	65280		C13061,D01601	HMDB13854
62107	N4-acetyl-5-hydroxysulfamethoxazole*	Xenobiotics	Drug - Antibiotic	LC/MS Neg	100020244	1745	310.05031
62109	resveratrol sulfate (2)*	Xenobiotics	Food Component/Plant	LC/MS Neg	100020246	3665	307.02818
62110	resveratrol disulfate (1)*	Xenobiotics	Food Component/Plant	LC/MS Neg	100020247	2530	192.98886
63658	glutamine conjugate of C7H12O2*	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Neg	100020259	3053	255.13502
63657	glutamine conjugate of C6H10O2 (1)*	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Pos Early	100020261	2262	243.13394
63660	glutamine conjugate of C6H10O2 (2)*	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Neg	100020262	2526	241.11938
62857	dihydroferulic acid sulfate	Xenobiotics	Food Component/Plant	LC/MS Polar	100020272	1520	275.02309	187489			HMDB41724
62152	sphingomyelin (d17:1/14:0, d16:1/15:0)*	Lipid	Sphingomyelins	LC/MS Pos Late	100020276	1950	661.52791
62850	tetradecadienoate (14:2)*	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	LC/MS Neg	100020343	5292	223.17035	5312409	39039-37-7		HMDB00560
62955	8-methoxykynurenate	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100020360	2863	218.04588	76230	2929-14-8	C05830	HMDB60426
62853	3-amino-2-piperidone	Amino Acid	Urea cycle; Arginine and Proline Metabolism	LC/MS Pos Early	100020361	2065	115.08659	5200225	1892-22-4		HMDB00323
63151	N,N-dimethylalanine	Amino Acid	Alanine and Aspartate Metabolism	LC/MS Pos Early	100020371	1370	118.08626	5488191	2812-31-9
63583	3-indoleglyoxylic acid	Xenobiotics	Food Component/Plant	LC/MS Neg	100020372	2140	188.03531	73863	1477-49-2
64131	ethyl beta-glucopyranoside	Xenobiotics	Food Component/Plant	LC/MS Neg	100020377	1519	207.08741	121667
63357	2-hydroxysebacate	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100020378	1324	217.10814	128458	103963-71-9		HMDB00424
63687	ascorbic acid 3-sulfate*	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	LC/MS Polar	100020409	2025	254.98146	11425365
62530	3-hydroxyhippurate sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100020410	1047	274.00269	186339
62503	6-bromotryptophan	Amino Acid	Tryptophan Metabolism	LC/MS Neg	100020414	3565	280.99311
62287	delta-CEHC	Cofactors and Vitamins	Tocopherol Metabolism	LC/MS Neg	100020416	3422	249.11323	11536125	84599-16-6
62862	N6,N6-dimethyllysine	Amino Acid	Lysine Metabolism	LC/MS Pos Early	100020417	2831	175.14411	193344	2259-86-1	C05545	HMDB13287
62566	1-carboxyethylphenylalanine	Amino Acid	Phenylalanine Metabolism	LC/MS Neg	100020419	2844	236.09283
62564	1-carboxyethyltyrosine	Amino Acid	Tyrosine Metabolism	LC/MS Neg	100020421	1846	252.08774
62562	1-carboxyethylvaline	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100020423	2008	188.09283
62276	dodecadienoate (12:2)*	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100020478	5146	195.13905
62309	N-acetyl-isoputreanine	Amino Acid	Polyamine Metabolism	LC/MS Pos Early	100020487	2305	203.13902	131802901
62291	glucuronide of piperine metabolite C17H21NO3 (4)*	Xenobiotics	Food Component/Plant	LC/MS Neg	100020492	3992	462.17696
62295	sulfate of piperine metabolite C16H19NO3 (2)*	Xenobiotics	Food Component/Plant	LC/MS Neg	100020496	4112	352.08601
62296	sulfate of piperine metabolite C16H19NO3 (3)*	Xenobiotics	Food Component/Plant	LC/MS Neg	100020497	4200	352.08601
62297	sulfate of piperine metabolite C18H21NO3 (1)*	Xenobiotics	Food Component/Plant	LC/MS Neg	100020502	4481	378.10167
62299	sulfate of piperine metabolite C18H21NO3 (3)*	Xenobiotics	Food Component/Plant	LC/MS Neg	100020504	4630	378.10167
62711	N-acetyltheanine	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100020514	1483	217.11829
62520	2-naphthol sulfate	Xenobiotics	Chemical	LC/MS Neg	100020515	3658	223.00705	74428
63072	4-ethylcatechol sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100020536	3379	217.01761
63251	11beta-hydroxyandrosterone glucuronide	Lipid	Androgenic Steroids	LC/MS Neg	100020541	4209	481.2443
63254	N2-acetyl,N6,N6-dimethyllysine	Amino Acid	Lysine Metabolism	LC/MS Pos Early	100020545	2172	217.15467
62954	N2-acetyl,N6-methyllysine	Amino Acid	Lysine Metabolism	LC/MS Pos Early	100020546	2168	203.13902
62571	cholic acid glucuronide	Lipid	Primary Bile Acid Metabolism	LC/MS Neg	100020549	4512	583.31238
63610	deoxycholic acid glucuronide	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100020550	4800	567.31747
63597	4-allylcatechol sulfate	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100020578	3571	229.01761
63236	3-hydroxypyridine glucuronide	Xenobiotics	Chemical	LC/MS Pos Early	100020591	1657	272.07648
62474	sulfociprofloxacin*	Xenobiotics	Drug - Antibiotic	LC/MS Neg	100020787	2340	410.08275	128781
62477	desmethylcitalopram*	Xenobiotics	Drug - Psychoactive	LC/MS Pos Late	100020790	880	311.15542	162180		C16608	HMDB14021,HMDB60576
62479	citalopram propionate*	Xenobiotics	Drug - Psychoactive	LC/MS Neg	100020793	4400	310.08849	10403174		C16610	HMDB60463
62480	4-hydroxy duloxetine glucuronide*	Xenobiotics	Drug - Psychoactive	LC/MS Neg	100020796	3705	488.13846				HMDB60763
62481	5-hydroxy-6-methoxy duloxetine sulfate*	Xenobiotics	Drug - Psychoactive	LC/MS Neg	100020798	3807	422.07375
62483	ezetimibe glucuronide*	Xenobiotics	Drug - Metabolic	LC/MS Neg	100020801	4588	584.17376	9894653
62485	ranitidine N-oxide*	Xenobiotics	Drug - Gastrointestinal	LC/MS Pos Early	100020810	2926	331.14346	3033888
62970	10-hydroxywarfarin	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100020811	3910	323.09249
62972	7-hydroxywarfarin	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100020813	3300	323.09249
62973	6-hydroxywarfarin	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100020814	3358	323.09249
63731	glycoursodeoxycholic acid sulfate (1)	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100020819	4309	263.62819
62524	dihydrocaffeate sulfate (2)	Xenobiotics	Food Component/Plant	LC/MS Polar	100020822	1328	261.00744
62526	lithocholate sulfate (1)	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100020823	4811	227.12
62527	lithocholic acid sulfate (2)	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100020824	5028	227.12
62567	3-(methylthio)acetaminophen sulfate*	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Neg	100020827	2265	276.00059
63120	2-ketocaprylate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	LC/MS Neg	100020833	3951	157.08701	67600	328-51-8		HMDB13211
63042	2,6-dihydroxybenzoic acid	Xenobiotics	Drug - Topical Agents	LC/MS Neg	100020837	2575	153.01933	9338	303-07-1		HMDB13676
62819	N,N-dimethyl-5-aminovalerate	Amino Acid	Lysine Metabolism	LC/MS Pos Early	100020842	2290	146.11756
62793	tetrahydrocortisol sulfate (1)	Lipid	Corticosteroids	LC/MS Neg	100020848	4276	445.19016
62798	4-acetylcatechol sulfate (1)	Xenobiotics	Food Component/Plant	LC/MS Neg	100020853	1774	230.99688
64117	clarithromycin	Xenobiotics	Drug - Antibiotic	LC/MS Pos Late	100020873	1078	748.48417		81103-11-9	D00276,C06912	HMDB15342
63916	glyburide	Xenobiotics	Drug - Metabolic	LC/MS Neg	100020883	5012	492.13654	3488	10238-21-8	D00336,C07022	HMDB15151
64110	Glimepiride	Xenobiotics	Drug - Metabolic	LC/MS Neg	100020885	5063	489.21771		93479-97-1
64108	repaglinide	Xenobiotics	Drug - Metabolic	LC/MS Neg	100020886	5290	451.26023	65981	135062-02-1	D00594,C07670	HMDB15048
64106	canagliflozin	Xenobiotics	Drug - Metabolic	LC/MS Neg	100020890	5270	443.13339		842133-18-0
64124	montelukast	Xenobiotics	Drug - Respiratory	LC/MS Pos Late	100020892	1318	586.21772	5281040	158966-92-8	D08229,D00529,C07482	HMDB14614
62805	2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Neg	100020893	1156	177.0227
64093	meloxicam	Xenobiotics	Drug - Analgesics, Anesthetics	LC/MS Pos Late	100020907	1038	352.04203		71125-38-7	D00969,C08169	HMDB14952
62813	Fibrinopeptide B (1-13)**	Peptide	Fibrinogen Cleavage Peptide	LC/MS Neg	100020908	2482	696.77166
64102	losartan	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100020909	4729	421.15491		114798-26-4
64122	midazolam	Xenobiotics	Drug - Psychoactive	LC/MS Pos Late	100020946	899	326.08548	4192	59467-70-8	C07524,D00550	HMDB14821
63230	5-hydroxy-2-methylpyridine sulfate	Xenobiotics	Chemical	LC/MS Neg	100020973	2074	188.0023
63227	3-hydroxy-2-methylpyridine sulfate	Xenobiotics	Chemical	LC/MS Neg	100020975	1849	188.0023
62851	hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**	Lipid	Sphingomyelins	LC/MS Pos Late	100021000	2056	719.56978
64205	tamoxifen	Xenobiotics	Drug - Antineoplastic	LC/MS Pos Late	100021080	1225	372.23219	2733526	10540-29-1	D08559,C07108	HMDB14813
62890	taurochenodeoxycholic acid 3-sulfate	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100021093	4809	288.61951				HMDB02486
62918	tetradecadienedioate (C14:2-DC)*	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100021100	3148	253.14453
62922	pregnenetriol sulfate*	Lipid	Pregnenolone Steroids	LC/MS Neg	100021103	4749	413.20033
62921	pregnenetriol disulfate*	Lipid	Pregnenolone Steroids	LC/MS Neg	100021104	3504	246.07493
62923	eicosenedioate (C20:1-DC)*	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100021105	5095	339.25407
62959	hydroxy-N6,N6,N6-trimethyllysine*	Amino Acid	Lysine Metabolism	LC/MS Pos Early	100021123	2759	205.15468
63613	undecenoylcarnitine (C11:1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	LC/MS Pos Late	100021131	1069	328.24824
62984	palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0)	Lipid	Ceramide PEs	LC/MS Pos Late	100021162	2207	661.5279
63057	picolinoylglycine	Lipid	Fatty Acid Metabolism (Acyl Glycine)	LC/MS Neg	100021198	1867	179.04621	11788622	5616-29-5		HMDB59766
63845	Urolithin B glucuronide	Xenobiotics	Bacterial/Fungal	LC/MS Neg	100021210	3384	387.07215				HMDB41787
63589	3,5-dichloro-2,6-dihydroxybenzoic acid	Xenobiotics	Chemical	LC/MS Neg	100021324	4412	220.94138
63339	(S)-a-amino-omega-caprolactam	Xenobiotics	Food Component/Plant	LC/MS Pos Early	100021329	2378	129.10224	439823	21568-87-6	C05328
63153	metabolonic lactone sulfate	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Neg	100021331	4802	427.21598
63853	vanillic acid glycine	Xenobiotics	Food Component/Plant	LC/MS Neg	100021363	1682	224.05644	3083688			HMDB60026
63739	2-hydroxy-4-(methylthio)butanoic acid	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Neg	100021372	1397	149.02778		583-91-5
63191	branched chain 14:0 dicarboxylic acid**	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100021374	3849	257.17583
63264	pentose acid*	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Polar	100021467	2180	165.04046
63436	(2 or 3)-decenoate (10:1n7 or n8)	Lipid	Medium Chain Fatty Acid	LC/MS Neg	100021502	4990	169.1234
64177	S-carboxyethylcysteine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	LC/MS Pos Early	100021530	1785	194.04816		4033-46-9
63841	dibutyl sulfosuccinate	Xenobiotics	Chemical	LC/MS Neg	100021538	3557	309.10134	423891	5144-51-4
63615	branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Neg	100021666	4805	169.1234
63681	3-bromo-5-chloro-2,6-dihydroxybenzoic acid*	Xenobiotics	Chemical	LC/MS Neg	100021707	4505	264.89087
63683	branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Neg	100021709	5261	197.15457
63685	decadienedioic acid (C10:2-DC)**	Lipid	Fatty Acid, Dicarboxylate	LC/MS Neg	100021711	1328	197.08197
63688	deoxycholic acid 12-sulfate*	Lipid	Secondary Bile Acid Metabolism	LC/MS Neg	100021712	4580	235.11746
63699	GlcNAc sulfate conjugate of C21H34O2 steroid**	Partially Characterized Molecules	Partially Characterized Molecules	LC/MS Neg	100021726	4336.7	299.63862
63988	4-chlorobenzoic acid	Xenobiotics	Chemical	LC/MS Neg	100021784	3015	154.99053		74-11-3
64201	torasemide	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100021794	4545	347.11833		56211-40-6
64209	indapamide	Xenobiotics	Drug - Cardiovascular	LC/MS Neg	100021796	4391	364.05281		26807-65-8
64049	2-methoxyhydroquinone sulfate (1)	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100021839	1505	218.99688
64050	2-methoxyhydroquinone sulfate (2)	Xenobiotics	Benzoate Metabolism	LC/MS Neg	100021840	1619	218.99688
64329	Empagliflozin	Xenobiotics	Drug - Metabolic	LC/MS Neg	100021946	4970	449.13747		864070-44-0
64330	Gliclazide	Xenobiotics	Drug - Metabolic	LC/MS Pos Late	100021947	1063	324.13764		21187-98-4
46590	X - 07765	Unnamed	Unnamed	LC/MS Neg	999907765
47478	X - 10458	Unnamed	Unnamed	LC/MS Neg	999910458
46592	X - 11299	Unnamed	Unnamed	LC/MS Neg	999911299
46390	X - 11308	Unnamed	Unnamed	LC/MS Neg	999911308
49592	X - 11315	Unnamed	Unnamed	LC/MS Neg	999911315
46594	X - 11372	Unnamed	Unnamed	LC/MS Neg	999911372
32698	X - 11381	Unnamed	Unnamed	LC/MS Pos Early	999911381
46596	X - 11407	Unnamed	Unnamed	LC/MS Neg	999911407
46460	X - 11444	Unnamed	Unnamed	LC/MS Neg	999911444
46601	X - 11470	Unnamed	Unnamed	LC/MS Neg	999911470
46602	X - 11478	Unnamed	Unnamed	LC/MS Neg	999911478
47650	X - 11483	Unnamed	Unnamed	LC/MS Neg	999911483
47493	X - 11632	Unnamed	Unnamed	LC/MS Neg	999911632
33132	X - 11787	Unnamed	Unnamed	LC/MS Pos Early	999911787
33140	X - 11795	Unnamed	Unnamed	LC/MS Pos Early	999911795
46466	X - 11843	Unnamed	Unnamed	LC/MS Neg	999911843
46488	X - 11847	Unnamed	Unnamed	LC/MS Neg	999911847
46607	X - 11849	Unnamed	Unnamed	LC/MS Neg	999911849
46507	X - 11850	Unnamed	Unnamed	LC/MS Neg	999911850
46521	X - 11852	Unnamed	Unnamed	LC/MS Neg	999911852
47654	X - 11858	Unnamed	Unnamed	LC/MS Neg	999911858
46608	X - 11880	Unnamed	Unnamed	LC/MS Neg	999911880
46610	X - 12007	Unnamed	Unnamed	LC/MS Neg	999912007
46611	X - 12013	Unnamed	Unnamed	LC/MS Neg	999912013
47905	X - 12026	Unnamed	Unnamed	LC/MS Neg	999912026
47510	X - 12027	Unnamed	Unnamed	LC/MS Neg	999912027
47686	X - 12096	Unnamed	Unnamed	LC/MS Pos Early	999912096
47687	X - 12100	Unnamed	Unnamed	LC/MS Pos Early	999912100
47642	X - 12101	Unnamed	Unnamed	LC/MS Pos Early	999912101
46932	X - 12104	Unnamed	Unnamed	LC/MS Pos Early	999912104
47695	X - 12117	Unnamed	Unnamed	LC/MS Pos Early	999912117
47643	X - 12125	Unnamed	Unnamed	LC/MS Pos Early	999912125
46966	X - 12126	Unnamed	Unnamed	LC/MS Neg	999912126
47702	X - 12127	Unnamed	Unnamed	LC/MS Pos Early	999912127
46613	X - 12216	Unnamed	Unnamed	LC/MS Neg	999912216
47657	X - 12261	Unnamed	Unnamed	LC/MS Neg	999912261
47708	X - 12283	Unnamed	Unnamed	LC/MS Pos Early	999912283
47917	X - 12306	Unnamed	Unnamed	LC/MS Neg	999912306
46615	X - 12407	Unnamed	Unnamed	LC/MS Neg	999912407
46616	X - 12411	Unnamed	Unnamed	LC/MS Neg	999912411
46620	X - 12462	Unnamed	Unnamed	LC/MS Pos Early	999912462
46510	X - 12544	Unnamed	Unnamed	LC/MS Neg	999912544
47437	X - 12680	Unnamed	Unnamed	LC/MS Pos Early	999912680
47929	X - 12707	Unnamed	Unnamed	LC/MS Neg	999912707
47936	X - 12726	Unnamed	Unnamed	LC/MS Neg	999912726
46623	X - 12729	Unnamed	Unnamed	LC/MS Neg	999912729
46627	X - 12740	Unnamed	Unnamed	LC/MS Neg	999912740
46624	X - 12798	Unnamed	Unnamed	LC/MS Pos Early	999912798
46986	X - 12812	Unnamed	Unnamed	LC/MS Neg	999912812
46630	X - 12816	Unnamed	Unnamed	LC/MS Neg	999912816
46997	X - 12822	Unnamed	Unnamed	LC/MS Neg	999912822
47662	X - 12830	Unnamed	Unnamed	LC/MS Neg	999912830
46633	X - 12844	Unnamed	Unnamed	LC/MS Neg	999912844
46364	X - 12847	Unnamed	Unnamed	LC/MS Neg	999912847
46636	X - 12849	Unnamed	Unnamed	LC/MS Neg	999912849
46639	X - 12851	Unnamed	Unnamed	LC/MS Neg	999912851
47203	X - 13007	Unnamed	Unnamed	LC/MS Neg	999913007
47439	X - 13507	Unnamed	Unnamed	LC/MS Pos Early	999913507
47959	X - 13553	Unnamed	Unnamed	LC/MS Neg	999913553
47664	X - 13658	Unnamed	Unnamed	LC/MS Neg	999913658
47790	X - 13684	Unnamed	Unnamed	LC/MS Pos Early	999913684
47967	X - 13726	Unnamed	Unnamed	LC/MS Neg	999913726
46645	X - 13728	Unnamed	Unnamed	LC/MS Neg	999913728
46646	X - 13835	Unnamed	Unnamed	LC/MS Neg	999913835
47977	X - 13844	Unnamed	Unnamed	LC/MS Neg	999913844
46417	X - 13866	Unnamed	Unnamed	LC/MS Neg	999913866
46632	X - 14056	Unnamed	Unnamed	LC/MS Pos Early	999914056
47204	X - 14904	Unnamed	Unnamed	LC/MS Neg	999914904
46657	X - 14939	Unnamed	Unnamed	LC/MS Neg	999914939
46658	X - 15220	Unnamed	Unnamed	LC/MS Neg	999915220
46283	X - 15461	Unnamed	Unnamed	LC/MS Pos Early	999915461
46266	X - 15486	Unnamed	Unnamed	LC/MS Neg	999915486
46977	X - 15503	Unnamed	Unnamed	LC/MS Neg	999915503
46664	X - 15664	Unnamed	Unnamed	LC/MS Neg	999915664
47800	X - 15666	Unnamed	Unnamed	LC/MS Pos Early	999915666
46666	X - 15728	Unnamed	Unnamed	LC/MS Neg	999915728
47988	X - 16087	Unnamed	Unnamed	LC/MS Neg	999916087
46461	X - 16124	Unnamed	Unnamed	LC/MS Neg	999916124
47802	X - 16397	Unnamed	Unnamed	LC/MS Pos Early	999916397
46673	X - 16576	Unnamed	Unnamed	LC/MS Neg	999916576
47804	X - 16580	Unnamed	Unnamed	LC/MS Pos Early	999916580
47992	X - 16649	Unnamed	Unnamed	LC/MS Neg	999916649
46681	X - 16935	Unnamed	Unnamed	LC/MS Neg	999916935
46511	X - 16938	Unnamed	Unnamed	LC/MS Neg	999916938
46685	X - 16964	Unnamed	Unnamed	LC/MS Neg	999916964
47993	X - 17010	Unnamed	Unnamed	LC/MS Neg	999917010
46686	X - 17137	Unnamed	Unnamed	LC/MS Neg	999917137
46691	X - 17146	Unnamed	Unnamed	LC/MS Neg	999917146
46490	X - 17185	Unnamed	Unnamed	LC/MS Neg	999917185
46672	X - 17325	Unnamed	Unnamed	LC/MS Neg	999917325
47818	X - 17328	Unnamed	Unnamed	LC/MS Pos Late	999917328
47872	X - 17340	Unnamed	Unnamed	LC/MS Neg	999917340
47997	X - 17346	Unnamed	Unnamed	LC/MS Neg	999917346
46989	X - 17348	Unnamed	Unnamed	LC/MS Neg	999917348
48003	X - 17353	Unnamed	Unnamed	LC/MS Neg	999917353
48009	X - 17357	Unnamed	Unnamed	LC/MS Neg	999917357
46976	X - 17365	Unnamed	Unnamed	LC/MS Neg	999917365
46994	X - 17367	Unnamed	Unnamed	LC/MS Neg	999917367
46707	X - 17653	Unnamed	Unnamed	LC/MS Neg	999917653
46709	X - 17654	Unnamed	Unnamed	LC/MS Neg	999917654
48019	X - 17655	Unnamed	Unnamed	LC/MS Neg	999917655
48021	X - 17673	Unnamed	Unnamed	LC/MS Neg	999917673
46970	X - 17676	Unnamed	Unnamed	LC/MS Neg	999917676
48025	X - 17685	Unnamed	Unnamed	LC/MS Neg	999917685
46710	X - 17690	Unnamed	Unnamed	LC/MS Neg	999917690
47342	X - 18345	Unnamed	Unnamed	LC/MS Neg	999918345
48046	X - 18838	Unnamed	Unnamed	LC/MS Neg	999918838
48047	X - 18886	Unnamed	Unnamed	LC/MS Neg	999918886
47301	X - 18887	Unnamed	Unnamed	LC/MS Neg	999918887
47670	X - 18899	Unnamed	Unnamed	LC/MS Neg	999918899
46690	X - 18901	Unnamed	Unnamed	LC/MS Neg	999918901
46695	X - 18913	Unnamed	Unnamed	LC/MS Neg	999918913
47671	X - 18921	Unnamed	Unnamed	LC/MS Neg	999918921
46700	X - 18922	Unnamed	Unnamed	LC/MS Neg	999918922
46701	X - 19141	Unnamed	Unnamed	LC/MS Neg	999919141
47673	X - 19299	Unnamed	Unnamed	LC/MS Neg	999919299
46261	X - 19438	Unnamed	Unnamed	LC/MS Neg	999919438
46259	X - 21258	Unnamed	Unnamed	LC/MS Neg	999921258
46295	X - 21286	Unnamed	Unnamed	LC/MS Neg	999921286
46354	X - 21310	Unnamed	Unnamed	LC/MS Neg	999921310
46356	X - 21312	Unnamed	Unnamed	LC/MS Neg	999921312
46359	X - 21315	Unnamed	Unnamed	LC/MS Neg	999921315
46363	X - 21319	Unnamed	Unnamed	LC/MS Neg	999921319
46384	X - 21339	Unnamed	Unnamed	LC/MS Neg	999921339
46387	X - 21342	Unnamed	Unnamed	LC/MS Neg	999921342
46398	X - 21353	Unnamed	Unnamed	LC/MS Neg	999921353
46409	X - 21364	Unnamed	Unnamed	LC/MS Neg	999921364
46428	X - 21383	Unnamed	Unnamed	LC/MS Neg	999921383
46486	X - 21441	Unnamed	Unnamed	LC/MS Neg	999921441
46487	X - 21442	Unnamed	Unnamed	LC/MS Neg	999921442
46512	X - 21467	Unnamed	Unnamed	LC/MS Neg	999921467
46515	X - 21470	Unnamed	Unnamed	LC/MS Neg	999921470
46516	X - 21471	Unnamed	Unnamed	LC/MS Neg	999921471
46674	X - 21607	Unnamed	Unnamed	LC/MS Neg	999921607
46730	X - 21661	Unnamed	Unnamed	LC/MS Neg	999921661
46902	X - 21733	Unnamed	Unnamed	LC/MS Neg	999921733
46905	X - 21736	Unnamed	Unnamed	LC/MS Neg	999921736
46909	X - 21740	Unnamed	Unnamed	LC/MS Neg	999921740
46972	X - 21796	Unnamed	Unnamed	LC/MS Neg	999921796
46984	X - 21807	Unnamed	Unnamed	LC/MS Neg	999921807
46992	X - 21815	Unnamed	Unnamed	LC/MS Neg	999921815
46993	X - 21816	Unnamed	Unnamed	LC/MS Neg	999921816
46998	X - 21821	Unnamed	Unnamed	LC/MS Neg	999921821
47006	X - 21829	Unnamed	Unnamed	LC/MS Neg	999921829
47011	X - 21834	Unnamed	Unnamed	LC/MS Neg	999921834
47016	X - 21839	Unnamed	Unnamed	LC/MS Neg	999921839
47019	X - 21842	Unnamed	Unnamed	LC/MS Neg	999921842
47028	X - 21851	Unnamed	Unnamed	LC/MS Neg	999921851
47417	X - 22162	Unnamed	Unnamed	LC/MS Pos Early	999922162
47773	X - 22509	Unnamed	Unnamed	LC/MS Neg	999922509
47784	X - 22520	Unnamed	Unnamed	LC/MS Neg	999922520
48076	X - 22771	Unnamed	Unnamed	LC/MS Neg	999922771
48081	X - 22776	Unnamed	Unnamed	LC/MS Neg	999922776
48107	X - 22802	Unnamed	Unnamed	LC/MS Neg	999922802
49463	X - 23587	Unnamed	Unnamed	LC/MS Pos Early	999923587
49469	X - 23593	Unnamed	Unnamed	LC/MS Pos Early	999923593
49512	X - 23636	Unnamed	Unnamed	LC/MS Pos Early	999923636
49515	X - 23639	Unnamed	Unnamed	LC/MS Pos Early	999923639
49521	X - 23644	Unnamed	Unnamed	LC/MS Pos Early	999923644
49525	X - 23648	Unnamed	Unnamed	LC/MS Pos Early	999923648
49532	X - 23655	Unnamed	Unnamed	LC/MS Pos Early	999923655
49536	X - 23659	Unnamed	Unnamed	LC/MS Pos Early	999923659
49542	X - 23665	Unnamed	Unnamed	LC/MS Pos Early	999923665
49637	X - 23739	Unnamed	Unnamed	LC/MS Pos Early	999923739
49679	X - 23780	Unnamed	Unnamed	LC/MS Pos Early	999923780
49681	X - 23782	Unnamed	Unnamed	LC/MS Pos Late	999923782
49883	X - 23974	Unnamed	Unnamed	LC/MS Neg	999923974
52025	X - 23997	Unnamed	Unnamed	LC/MS Pos Early	999923997
52280	X - 24241	Unnamed	Unnamed	LC/MS Pos Early	999924241
52286	X - 24243	Unnamed	Unnamed	LC/MS Pos Early	999924243
52483	X - 24295	Unnamed	Unnamed	LC/MS Neg	999924295
52501	X - 24306	Unnamed	Unnamed	LC/MS Neg	999924306
52502	X - 24307	Unnamed	Unnamed	LC/MS Neg	999924307
52504	X - 24309	Unnamed	Unnamed	LC/MS Neg	999924309
52524	X - 24328	Unnamed	Unnamed	LC/MS Neg	999924328
52530	X - 24334	Unnamed	Unnamed	LC/MS Neg	999924334
52533	X - 24337	Unnamed	Unnamed	LC/MS Neg	999924337
52548	X - 24352	Unnamed	Unnamed	LC/MS Neg	999924352
52647	X - 24418	Unnamed	Unnamed	LC/MS Neg	999924418
52636	X - 24422	Unnamed	Unnamed	LC/MS Pos Early	999924422
52655	X - 24425	Unnamed	Unnamed	LC/MS Pos Early	999924425
52773	X - 24456	Unnamed	Unnamed	LC/MS Pos Early	999924456
52813	X - 24494	Unnamed	Unnamed	LC/MS Neg	999924494
52843	X - 24522	Unnamed	Unnamed	LC/MS Pos Early	999924522
52865	X - 24544	Unnamed	Unnamed	LC/MS Neg	999924544
52867	X - 24546	Unnamed	Unnamed	LC/MS Neg	999924546
52877	X - 24556	Unnamed	Unnamed	LC/MS Neg	999924556
52892	X - 24571	Unnamed	Unnamed	LC/MS Neg	999924571
52897	X - 24576	Unnamed	Unnamed	LC/MS Neg	999924576
52909	X - 24588	Unnamed	Unnamed	LC/MS Neg	999924588
53023	X - 24608	Unnamed	Unnamed	LC/MS Neg	999924608
53065	X - 24637	Unnamed	Unnamed	LC/MS Neg	999924637
53097	X - 24669	Unnamed	Unnamed	LC/MS Neg	999924669
53172	X - 24736	Unnamed	Unnamed	LC/MS Pos Early	999924736
53266	X - 24747	Unnamed	Unnamed	LC/MS Neg	999924747
53267	X - 24748	Unnamed	Unnamed	LC/MS Neg	999924748
54695	X - 24757	Unnamed	Unnamed	LC/MS Neg	999924757
57714	X - 24947	Unnamed	Unnamed	LC/MS Neg	999924947
57716	X - 24949	Unnamed	Unnamed	LC/MS Neg	999924949
57718	X - 24951	Unnamed	Unnamed	LC/MS Neg	999924951
57720	X - 24953	Unnamed	Unnamed	LC/MS Neg	999924953
57754	X - 24970	Unnamed	Unnamed	LC/MS Pos Early	999924970
62494	X - 25265	Unnamed	Unnamed	LC/MS Pos Early	999925265
62496	X - 25267	Unnamed	Unnamed	LC/MS Pos Early	999925267
62500	X - 25271	Unnamed	Unnamed	LC/MS Pos Early	999925271
62521	X - 25279	Unnamed	Unnamed	LC/MS Neg	999925279
62636	X - 25343	Unnamed	Unnamed	LC/MS Pos Early	999925343
62664	X - 25371	Unnamed	Unnamed	LC/MS Neg	999925371
62714	X - 25417	Unnamed	Unnamed	LC/MS Pos Early	999925417
62716	X - 25419	Unnamed	Unnamed	LC/MS Pos Early	999925419
62717	X - 25420	Unnamed	Unnamed	LC/MS Pos Early	999925420
62719	X - 25422	Unnamed	Unnamed	LC/MS Pos Early	999925422
62749	X - 25433	Unnamed	Unnamed	LC/MS Neg	999925433
62937	X - 25503	Unnamed	Unnamed	LC/MS Neg	999925503
62963	X - 25519	Unnamed	Unnamed	LC/MS Pos Early	999925519
62964	X - 25520	Unnamed	Unnamed	LC/MS Pos Early	999925520
62967	X - 25523	Unnamed	Unnamed	LC/MS Neg	999925523
63560	X - 25790	Unnamed	Unnamed	LC/MS Pos Early	999925790
63592	X - 25810	Unnamed	Unnamed	LC/MS Pos Early	999925810
63634	X - 25828	Unnamed	Unnamed	LC/MS Pos Early	999925828
63899	X - 25948	Unnamed	Unnamed	LC/MS Pos Early	999925948
63908	X - 25957	Unnamed	Unnamed	LC/MS Pos Early	999925957

CONTACT US