#METABOLOMICS WORKBENCH aneesha1990_20250522_205942 DATATRACK_ID:5940 STUDY_ID:ST003927 ANALYSIS_ID:AN006450 PROJECT_ID:PR002460
VERSION             	1
CREATED_ON             	May 26, 2025, 10:27 pm
#PROJECT
PR:PROJECT_TITLE                 	Muscle metabolome of young/age healthy/tumor bearing mice
PR:PROJECT_SUMMARY               	The goal of the study is to evaluate the metabolome differences in the muscles
PR:PROJECT_SUMMARY               	of young and aged mice when implanted with KPC cells (pancreatic cancer cells).
PR:PROJECT_SUMMARY               	We focused on the differential metabolite abundance between the young and the
PR:PROJECT_SUMMARY               	aged tumor bearing mice. We found histamine was significantly upregulated in the
PR:PROJECT_SUMMARY               	aged tumor-bearing mice. We followed this data and found a histamine signaling
PR:PROJECT_SUMMARY               	axis in cachexia.
PR:INSTITUTE                     	Indiana University School of Medicine
PR:LAST_NAME                     	Doles
PR:FIRST_NAME                    	Jason
PR:ADDRESS                       	635 Barnhill Drive
PR:EMAIL                         	jadoles@iu.edu
PR:PHONE                         	4027080332
#STUDY
ST:STUDY_TITLE                   	Histidine decarboxylase inhibition attenuates cancer-associated muscle wasting
ST:STUDY_SUMMARY                 	Cancer cachexia is a multifactorial syndrome involving muscle and fat wasting,
ST:STUDY_SUMMARY                 	inflammation, and metabolic dysfunction. Across cancer subtypes, pancreatic
ST:STUDY_SUMMARY                 	cancer has one of the highest cachexia incidence rates at approximately 80%.
ST:STUDY_SUMMARY                 	Given the advanced age of most pancreatic cancer patients, we sought to query
ST:STUDY_SUMMARY                 	cancer-associated muscle wasting using an age-matched murine model. We found
ST:STUDY_SUMMARY                 	that histamine and histamine decarboxylase (HDC) activity were specifically
ST:STUDY_SUMMARY                 	elevated in the muscles of aged tumor-bearing mice. We further found that 1)
ST:STUDY_SUMMARY                 	wasting stimuli induced histamine production and enhanced HDC activity; 2)
ST:STUDY_SUMMARY                 	exogenous histamine was sufficient to induce atrophy-associated gene expression;
ST:STUDY_SUMMARY                 	3) inhibition of HDC activity by α-fluoromethylhistidine (FMH) protected
ST:STUDY_SUMMARY                 	against atrophy; 4) treatment of tumor-bearing mice with FMH rescued muscle
ST:STUDY_SUMMARY                 	wasting; and 5) a calcineurin inhibitor was able to rescue histamine-associated
ST:STUDY_SUMMARY                 	increases in calcium/atrogene signaling. In summary, we present a novel
ST:STUDY_SUMMARY                 	metabolic pathway that has significant implications for the treatment of
ST:STUDY_SUMMARY                 	cachectic cancer patients
ST:INSTITUTE                     	Indiana University School of Medicine
ST:LAST_NAME                     	Doles
ST:FIRST_NAME                    	Jason
ST:ADDRESS                       	635 Barnhill Drive
ST:EMAIL                         	jadoles@iu.edu
ST:PHONE                         	4027080332
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENDER                        	Male
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01887	Age:78 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01888	Age:78 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01889	Age:78 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01890	Age:78 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01891	Age:78 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01892	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01893	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01894	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01895	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01896	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01897	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01898	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01899	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01900	Age:8 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01901	Age:8 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01902	Age:8 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01903	Age:8 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01904	Age:8 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01905	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01906	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01907	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01908	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01909	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01910	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
SUBJECT_SAMPLE_FACTORS           	-	MAYO-01911	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	
#COLLECTION
CO:COLLECTION_SUMMARY            	Mice were sacrificed at the survival endpoint. Survival endpoint was based on
CO:COLLECTION_SUMMARY            	body score and/or tumor volume and/or body weight loss. Gastrocnemius muscles
CO:COLLECTION_SUMMARY            	were then harvested and flash frozen. 40mg of frozen tissue was sent to
CO:COLLECTION_SUMMARY            	Metabolon. All the mice in this study were included in this metabolomic
CO:COLLECTION_SUMMARY            	database. KPC cells were obtained from Dr. Gina Razidlo (Mayo Clinic) and
CO:COLLECTION_SUMMARY            	cultured in DMEM plus 10% FBS. Mice were orthotopically implanted with 5000 KPC
CO:COLLECTION_SUMMARY            	cells.
CO:SAMPLE_TYPE                   	Gastrocnemius
#TREATMENT
TR:TREATMENT_SUMMARY             	Young (8 weeks) and Aged (78 weeks) mice were either injected with saline or KPC
TR:TREATMENT_SUMMARY             	cells.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Frozen gastrocnemius muscles were sent to Metabolon. These are the Metabolon
SP:SAMPLEPREP_SUMMARY            	Procedures: Sample Preparation: Samples were prepared using the automated
SP:SAMPLEPREP_SUMMARY            	MicroLab STAR® system from Hamilton Company. Several recovery standards were
SP:SAMPLEPREP_SUMMARY            	added prior to the first step in the extraction process for QC purposes. To
SP:SAMPLEPREP_SUMMARY            	remove protein, dissociate small molecules bound to protein or trapped in the
SP:SAMPLEPREP_SUMMARY            	precipitated protein matrix, and to recover chemically diverse metabolites,
SP:SAMPLEPREP_SUMMARY            	proteins were precipitated with methanol under vigorous shaking for 2 min (Glen
SP:SAMPLEPREP_SUMMARY            	Mills GenoGrinder 2000) followed by centrifugation. The resulting extract was
SP:SAMPLEPREP_SUMMARY            	divided into five fractions: two for analysis by two separate reverse phase
SP:SAMPLEPREP_SUMMARY            	(RP)/UPLC-MS/MS methods with positive ion mode electrospray ionization (ESI),
SP:SAMPLEPREP_SUMMARY            	one for analysis by RP/UPLC-MS/MS with negative ion mode ESI, one for analysis
SP:SAMPLEPREP_SUMMARY            	by HILIC/UPLC-MS/MS with negative ion mode ESI, and one sample was reserved for
SP:SAMPLEPREP_SUMMARY            	backup. Samples were placed briefly on a TurboVap® (Zymark) to remove the
SP:SAMPLEPREP_SUMMARY            	organic solvent. The sample extracts were stored overnight under nitrogen before
SP:SAMPLEPREP_SUMMARY            	preparation for analysis. Ultrahigh Performance Liquid Chromatography-Tandem
SP:SAMPLEPREP_SUMMARY            	Mass Spectroscopy (UPLC-MS/MS): All methods utilized a Waters ACQUITY
SP:SAMPLEPREP_SUMMARY            	ultra-performance liquid chromatography (UPLC) and a Thermo Scientific
SP:SAMPLEPREP_SUMMARY            	Q-Exactive high resolution/accurate mass spectrometer interfaced with a heated
SP:SAMPLEPREP_SUMMARY            	electrospray ionization (HESI-II) source and Orbitrap mass analyzer operated at
SP:SAMPLEPREP_SUMMARY            	35,000 mass resolution. The sample extract was dried then reconstituted in
SP:SAMPLEPREP_SUMMARY            	solvents compatible to each of the four methods. Each reconstitution solvent
SP:SAMPLEPREP_SUMMARY            	contained a series of standards at fixed concentrations to ensure injection and
SP:SAMPLEPREP_SUMMARY            	chromatographic consistency. One aliquot was analyzed using acidic positive ion
SP:SAMPLEPREP_SUMMARY            	conditions, chromatographically optimized for more hydrophilic compounds. In
SP:SAMPLEPREP_SUMMARY            	this method, the extract was gradient eluted from a C18 column (Waters UPLC BEH
SP:SAMPLEPREP_SUMMARY            	C18-2.1x100 mm, 1.7 µm) using water and methanol, containing 0.05%
SP:SAMPLEPREP_SUMMARY            	perfluoropentanoic acid (PFPA) and 0.1% formic acid (FA). Another aliquot was
SP:SAMPLEPREP_SUMMARY            	also analyzed using acidic positive ion conditions, however it was
SP:SAMPLEPREP_SUMMARY            	chromatographically optimized for more hydrophobic compounds. In this method,
SP:SAMPLEPREP_SUMMARY            	the extract was gradient eluted from the same afore mentioned C18 column using
SP:SAMPLEPREP_SUMMARY            	methanol, acetonitrile, water, 0.05% PFPA and 0.01% FA and was operated at an
SP:SAMPLEPREP_SUMMARY            	overall higher organic content. Another aliquot was analyzed using basic
SP:SAMPLEPREP_SUMMARY            	negative ion optimized conditions using a separate dedicated C18 column. The
SP:SAMPLEPREP_SUMMARY            	basic extracts were gradient eluted from the column using methanol and water,
SP:SAMPLEPREP_SUMMARY            	however with 6.5mM Ammonium Bicarbonate at pH 8. The fourth aliquot was analyzed
SP:SAMPLEPREP_SUMMARY            	via negative ionization following elution from a HILIC column (Waters UPLC BEH
SP:SAMPLEPREP_SUMMARY            	Amide 2.1x150 mm, 1.7 µm) using a gradient consisting of water and acetonitrile
SP:SAMPLEPREP_SUMMARY            	with 10mM Ammonium Formate, pH 10.8. The MS analysis alternated between MS and
SP:SAMPLEPREP_SUMMARY            	data-dependent MSn scans using dynamic exclusion. The scan range varied slighted
SP:SAMPLEPREP_SUMMARY            	between methods but covered 70-1000 m/z.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Low pH polar (LC/MS Pos early)
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (100 x 2.1mm, 1.7um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid; 0.05% PFPA, pH ~2.5
CH:SOLVENT_B                     	100% methanol; 0.1% formic acid; 0.05% PFPA, pH ~2.5
CH:FLOW_GRADIENT                 	Linear gradient from 5% B to 80% B over 3.35 minutes
CH:FLOW_RATE                     	0.35 mL/min
CH:COLUMN_TEMPERATURE            	40-50
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	Other
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Metabolon (LC/MS Pos early)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	raw area counts
MS_METABOLITE_DATA_START
Samples	MAYO-01887	MAYO-01888	MAYO-01889	MAYO-01890	MAYO-01891	MAYO-01892	MAYO-01893	MAYO-01894	MAYO-01895	MAYO-01896	MAYO-01897	MAYO-01898	MAYO-01899	MAYO-01900	MAYO-01901	MAYO-01902	MAYO-01903	MAYO-01904	MAYO-01905	MAYO-01906	MAYO-01907	MAYO-01908	MAYO-01909	MAYO-01910	MAYO-01911
Factors	Age:78 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	Age:78 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	Age:78 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	Age:78 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	Age:78 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:78 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:8 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	Age:8 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	Age:8 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	Age:8 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	Age:8 weeks | Condition:Control | Sample source:Gastrocnemius Muscle	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle	Age:8 weeks | Condition:KPC | Sample source:Gastrocnemius Muscle
(14 or 15)-methylpalmitate (a17:0 or i17:0)	7924981	6371884	6649125	3992780	6566663	7519347	15460669	7941710	13001208	4838077	4071518	5999970	5245173	7846086	8055403	9223035	11457420	12636907	17051032	10900730	6551393	6778365	4916236	6001968	4153678
(16 or 17)-methylstearate (a19:0 or i19:0)	1229352	1183777	1349937	465276	1542125	1420815	2595765	886337	2984436	1456501	1187516	1242805	1213510	2069576	989633	867263	3031402	1452321	3394899	2253357	1131374	2184747	1238240	866884	664049
(R)-3-hydroxybutyrylcarnitine	2963326	5235579	2610619	2310848	1728305	5811525	2414451	6604524	2957477	766003	542913	1861163	2610156	2945441	5149153	3100842	3766565	1771473	1446334	2864634	3255693	1119621	2768759	1256290	2604522
(S)-3-hydroxybutyrylcarnitine	18618952	23737072	13454695	15505277	11532244	28647060	778183	13218812	7599998	3082391	1917869	8717406	6987294	23594460	24337778	16851096	15902214	11506622	7343985	16415946	12077961	7036130	7321062	3562744	7160990
1,2,3-benzenetriol sulfate (2)	99212	232580	158090		871118	150238	75290		234682	450758	884982	525408	220551	59868	84136	117715	293363	42671	289060	100176	219276	621134	218094		96538
1,2-dilinoleoyl-GPC (18:2/18:2)	47749936	59824080	54836376	33713672	42001908	54273772	109940832	58255352	80444912	52958900	47328268	56103476	103558152	55956440	65832968	63093908	52936360	73149928	39555012	45868184	40374880	86278920	58834516	62605784	89909376
1,2-dilinoleoyl-GPE (18:2/18:2)*	1363250	1129703	1513338	1104954	771122	1335239	2073250	975468	1386520	1702283	1447373	1163630	1858528	1521957	1998965	2183701	1498498	1896769	1223973	1131401	1131422	1454199	1710619	1271241	1717271
1,2-dioleoyl-GPC (18:1/18:1)	38608320	48779984	31280034	31683064	44365288	44158404	102328296	102714992	75109536	62098180	52561416	36117100	55738792	27257086	29679092	30049530	30640630	29609152	23916160	32811942	33762644	36287456	38343672	38674160	45757100
1,2-dioleoyl-GPE (18:1/18:1)	1241871	3246084	2418218	2812962	2650421	2481426	3425211	1369094	3138754	3429262	5672512	2260090	1267862	1661536	1452319	2213409	1065533	1985615	2217333	1915332	1808590	2013210	2012261	1229728	1618919
1,2-dioleoyl-GPS (18:1/18:1)	711458	1707832	1248562	1744108	1680702	962159	1076499	768448	1390346	2733718	3776530	715682	898910	491978	960568	1847506	676911	1166212	1775824	1341705	857444	1929105	1454540	777256	728918
1,2-dipalmitoyl-GPC (16:0/16:0)	220021152	194866624	201742992	158129792	145603936	163840208	85090720	128083400	101521920	142563648	125814912	125903496	141062960	171171280	181280864	188378432	210623648	219403872	150330496	159860192	169295088	143250240	97259168	129577248	126103672
1,2-dipalmitoyl-GPE (16:0/16:0)*	343379	189589	252462	179659	133701	167303		265851	128978	338256	303012	198930	159857	114584	98577	170466	194183	203130	191489			77336		90702	
1,5-anhydroglucitol (1,5-AG)	5458381	4181494	5729696	5900687	6735096	6489141	6755686	6423928	6954313	5982222	6374602	4255088	5718392	3788402	2253298	4468657	2923955	4113080	4078907	4024692	4024361	6071139	2589951	3886332	4512818
1-(1-enyl-oleoyl)-GPE (P-18:1)*	1324116	2907735	6846225	2602016	2549916	1916251	5478917	1339498	2372846	2057852	3685581	1632419	1176086	1076028	977091	1276671	928000	1025241	1709567	1504199	1197193	1963992	1679227	936478	1014412
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	8759542	10862134	10105822	11414690	9825759	10255794	10503585	15034984	13649596	29594348	26551184	20244384	14275889	7336370	4955769	4672961	7175182	5022199	18947244	14318813	8310485	23700370	15890652	13401407	13599704
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	8934023	9793459	10295297	7439238	7309303	10748067	7536813	9008244	8880394	22894784	22137508	12280426	11189940	8664441	11096791	10735119	12720808	11459055	17001362	10651019	8060333	16485827	14266046	11179714	13205571
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	7059567	6963956	7839105	6118847	6371269	7136373	13131591	15484731	16021476	21985192	19391376	14596662	20044576	5664940	3719408	4979584	4865525	5069819	13085203	9346871	5726841	25175724	12856711	12443553	14882339
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	1720760	2030960	1853910	1607663	1666050	1910686	1699132	1886921	2102541	4479027	4528244	2082487	2543710	1993704	1970017	2269889	2028022	2049296	3853626	2630153	1641033	4286119	3587951	2762092	2739906
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	6522796	4858630	5696195	4533955	4775293	5116708	6561992	9330074	9101880	14627034	10880503	9148239	8404031	3506880	1925015	2816674	2810713	2958874	6163503	5134092	3371535	8030668	4895425	5228095	5451698
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	6050871	8488845	7787754	6821745	5968625	6063945	6874477	6567287	9231318	16932812	15179620	7506738	6375550	5565703	5474747	9317175	5633631	7194377	12353885	9533622	4795655	12501913	11481340	8209730	8612702
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	1159937	1099298	961870	971854	993380	902601	1109992	1485719	1287592	1883916	1833276	1255873	1225741	993757	459641	587280	746980	666556	1341462	1108265	885536	1797510	1333642	1098610	1071471
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	6264790	4274417	4948787	3268139	3112408	3800597	3932177	6562754	5660068	9913138	7641273	8099551	8576897	3874768	3168626	3998029	4227805	4562175	8438254	7186621	5550235	10836558	6123118	8765163	7627066
1-(1-enyl-palmitoyl)-GPC (P-16:0)*	576130	701382	1529261	672963	722496	635973	2241332	1001827	918357	1317598	1267013	1708088	1437873		465257	421562	473238	428094	1142353	1199231	1186335	2146450	1035180	1321628	1092625
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	2136894	2109648	8474091	1812752	2146532	1958439	5092245	1681190	1905231	2158596	2909371	2122458	2109997	1621382	1595877	1625793	1827485	1583302	3159838	2115172	2311841	3396079	2221290	1857065	1906739
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	2992447	3385637	3713912	2475871	2575701	3633966	2717211	3699699	3881743	11582363	10495460	5482991	4702187	2894887	3828154	4167038	3949355	4134660	8775638	5156817	3110372	8593586	6158109	5277632	5133801
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	1825974	7092704	3801166	4966418	4460062	2678472	4977569	2400047	6213052	5958457	10526464	4180568	2662411	2520217	2824767	5663526	2741136	3834004	8065022	6165688	2305077	7709365	6744305	3570851	4518309
1-(1-enyl-stearoyl)-GPE (P-18:0)*	1296477	2028765	4857856	1583606	1609353	1334486	3193580	1260696	1742680	1315740	2964653	1797179	1711162	943071	1059935	1172529	1078281	1057601	2230091	1589946	1394306	2642560	1527089	1456633	1434656
1-arachidonoyl-GPC* (20:4)*	2157757	1360442	1485503	938054	1154226	1748157	3021882	998118	1415823	1030500	462176	1343690	995007	935502	2023135	1870264	1176327	1896515	1243694	1696825	914283	1097798	472131	908335	845035
1-arachidonoyl-GPE (20:4n6)*	868339	687728	1185595	462450	447836	686518	1702495	419750	669191	908350	610770	617922	505302	634000	1366570	1288732	737242	1170649	1578925	1237076	525120	980606	286752	657980	562679
1-arachidonoyl-GPI* (20:4)*	2739214	1838275	2146836	1516114	1484851	2043450	9280676	2543228	3221471	2742610	1234806	3016118	2651624	1220499	2304291	2362364	1602237	2179002	3034047	2196360	1646663	1655271	1027195	2139250	2035525
1-arachidonylglycerol (20:4)	1766186	685011	1383565	636943	681437	2154316	1546871	1525133	3651218	3109252	1530197	3253677	1715591	987995	1132534	2126309	1305265	1040967	5805228	4000287	1060046	3536194	2381171	2048949	1827355
1-carboxyethylhistidine							234167																		
1-carboxyethylisoleucine	70190	136294	184376	54658	56918	69969	7377762	202194	501909	24931	24852	139827	103576	87335	70418	66675	75210	72908	254217	99481	65494	75291	938344	104809	1177583
1-carboxyethylleucine	222287	375461	547109	184381	135507	255528	14605332	730299	1466463	99143	95586	472292	347141	310126	199920	247804	228460	253041	574522	368785	284274	303986	2985269	452222	2756264
1-carboxyethylphenylalanine	149177	438293	451064	114034	108225	256720	11212470	345135	1555831	41238	38156	309253	441973	198702	201713	182452	263424	132779	407551	233979	183775	221624	1691915	184095	1930009
1-carboxyethyltyrosine	39869	186007	128203	43181	26529	69940	4754054	40022	282581			46381	95124	58159	85403	60745	99498	48203	112670	49756	52580	40107	324011	23964	491097
1-carboxyethylvaline	281251	639357	518992	242093	270426	375499	15657990	638531	1606692	126617	185262	541668	406367	437282	297452	340823	439957	328677	836530	461582	330212	336756	3086138	439515	3710642
1-dihomo-linolenylglycerol (20:3)	578400	276136	518427	224255	283420	645502	497352	537105	1377688	1222852	540155	1038044	457582	472962	439392	717710	436438	418098	1572890	1265237	450793	1029750	816858	479483	548552
1-dihomo-linoleoylglycerol (20:2)	41273	27819	42989			65896			119404			113130	77022	70360	87716	183117	76843	99436	145025	334882	98539	82885	91428	148917	147882
1-docosahexaenoylglycerol (22:6)	4356129	1770369	2234648	1184015	1132403	3723438	4290120	3124040	9435129	3017220	1220124	6295076	3525136	2353573	3123963	4922612	2738002	3354338	11022545	9209198	3091038	3510954	3051772	4423007	4012972
1-eicosapentaenoylglycerol (20:5)*												30613				32364			89785	60430					
1-heptadecenoylglycerol (17:1)*							176958	148620	277843					177968			190326		214119			97433			184398
1-lignoceroyl-GPC (24:0)		959627	492574	711144	650917	580075	575785	199551	715615	745089	1169887	321439	249615	307160	362586	364122	382652	464103	536602	470154	475274	667386	595394	381640	478200
1-linolenoyl-GPC (18:3)*	262746	446993	416442	200882	540419	277877	275938		108108	160275	248719	252901	195554	516908	364660	402831	758907	458904	205310	242066	241992	492608	348254	87216	219436
1-linolenoylglycerol (18:3)	358687	313198	326662	126186	165083	184823	264903	53417	149036	189764	133309	214385	99573	384878	712006	372662	451841	386574	788212	484854	275581	303263	154429	123563	123089
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	67597440	76454488	64886700	64743468	78308480	91145504	90079352	78448192	75734808	89001152	75485904	75054992	84281776	73604752	78940624	80025800	72101472	87767944	74699488	83567472	78346472	105153792	95860240	83654048	108967504
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	12252413	18342752	15985599	14701632	15061161	11393670	6013179	7900115	7388893	11425065	10617364	16537404	12752731	17429186	19249600	18415252	18488148	21192964	10769509	13234558	13350165	13160934	12566187	12310870	11013005
1-linoleoyl-GPC (18:2)	8787417	13171806	11776791	7591237	12471228	9387072	21752942	3985374	6467894	5714957	7267092	7513652	7981147	7735151	9638681	6989449	11035515	8129877	5041317	5396856	5103237	18342606	8896417	5616671	8241690
1-linoleoyl-GPE (18:2)*	1210567	1254154	4582022	639149	1992767	944020	2537484	345115	1128282	978766	1707307	823940	980516	1118783	964150	874269	1666731	738116	2227426	879737	808146	2153314	1516422	725121	923478
1-linoleoyl-GPG (18:2)*	178734	254016	353598			205566	268734	267208	291630	317240	232804	428715	472318	174454	229865	180717	153161		173421		216510	443520	344290	468739	560214
1-linoleoyl-GPI* (18:2)*	222184	136845	333603	96403		179123	1577310	202720	251347	313193	155396	301282	235633	137316	176320	207336	126560	173633	450510	197609	105920	152506		176251	184126
1-linoleoyl-GPS (18:2)*	71811		197869																124045						
1-linoleoylglycerol (18:2)	16468315	10766739	24981620	5199934	4536249	9850686	28828138	4647463	18007796	8533554	5166740	10494572	7081466	12288694	25760410	9710610	17832496	10189201	24682876	16778284	10451254	12244848	5195789	8845432	9951611
1-methyl-4-imidazoleacetate	562486	398907	581271	229597	1242648	1372879	1575234	507176	1121727	4499288	6359946	1562529	862553	385973	289565	279724	461330	213516	2031075	687295	840374	3771702	923972	588867	5215946
1-methyl-5-imidazoleacetate	231997	297435	321328	124718	832096	543073	282755	273504	485577	372004	563307	323498	245495	148903	97998	140091	166301	63658	277389	113299		624615			437804
1-methylguanidine	2132575	2644691	1893952	1659563	3456851	2301062	828362	794369	1576416	5007946	6139360	4173374	1607475	2538252	1917724	2069256	3183200	1881749	2538184	2065854	2675867	4993021	2816048	1941824	3409140
1-methylhistamine	848924	1037522	1766051	1144639	704397	1508646	14161586	1398082	1589980	2596811	2548892	1046305	1912033	684981	752185	397343	558811	816931	1507717	639911	881243	1603936	1185868	1202952	2338218
1-methylhistidine	1739461	1245659	3108655	2424537	1785844	1775104	5688607	2968125	3005788	2507207	3042389	3054870	7985988	1635181	2032914	3093559	1327888	1685338	3466987	2665025	3733305	7110204	2037279	2784959	6294366
1-methylnicotinamide		418954			803566	664798	1066634			1377042	1819662	219235						609231	807297	494490		1882015	1397375		907051
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	12389538	19278704	14400683	15743458	17486192	14952157	5410654	9472792	7072743	11377221	9838439	14073272	11613221	16240204	23697744	20325740	21593136	23571924	14699020	19208524	17121780	12634942	20252512	14336977	12096384
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	77161328	108123536	93371888	84073560	68746352	57310068	22408472	44349712	40474476	49943776	42078676	67208936	55671324	69682352	84023728	83440496	96382560	98340728	52427656	61027268	70863880	42117732	44152024	55283620	41889584
1-myristoylglycerol (14:0)	1476828	1424396	1749304	1186636	1261643	1688511	1322279	1808577	1231090	1118307	1041404	1473365	1188131	1772966	2031375	1954978	1568949	1720361	1729485	2024999	1526634	1505871	1074243	1403244	1399783
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*	11390452	10741141	10434510	11947587	12127679	14738442	7834752	9519951	9146517	11879134	12391295	6741990	10243892	12918950	11464467	15107910	13800765	17725880	11631120	9541187	9443152	10753139	12283651	8470788	10202754
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*	3666975	2955560	2467967	3100923	3537077	3129520	4621878	6061903	5090882	4209836	3660740	2506870	6074057	2288674	2735584	3255301	4183683	3513461	2477447	2494495	2371977	1726911	2564305	3225989	3314393
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	86317440	91177272	77968064	79087792	75079280	87341320	205270032	174836592	182622176	151230352	141912752	119099376	115870672	54285296	55313664	48740472	52444468	46499256	76412856	68804632	69010336	102845736	76810632	92730768	109455520
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*	54830044	48970620	55107556	58610940	46685528	63401600	51905100	72050088	80871272	84787392	81201736	71180264	63564932	51376568	39176724	49378032	51507392	42463804	59474764	45909684	41062624	56388856	50700060	47203396	50475436
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	90353264	107983848	89330592	74625896	73770168	95416344	226341680	155432960	179486544	122490912	113963488	104951336	144881072	73727168	80715624	75724832	69411216	78185224	67255032	60948456	71123696	107336648	76364696	88498232	120609440
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	6292051	8864413	6088224	4056067	4971388	7260965	8513979	4494929	7897066	7819177	8493952	5060644	6788860	5117909	7456446	6742192	5895771	7260388	5399408	3210397	2141955	5887461	5635038	4743218	6216856
1-oleoyl-GPC (18:1)	8802789	11627220	17227396	7231664	15078412	10660505	41789136	6200725	10559712	6425124	9806102	6955082	7464700	4827901	6470608	5689869	7653112	5828496	5256576	4566946	5802333	11066312	7148292	4647716	6467361
1-oleoyl-GPE (18:1)	2583976	2978916	10855916	2200574	3937239	2288221	8506310	1064866	3434436	2931666	4273737	1563839	1611026	1179415	1387523	1381316	2792189	1405202	3560265	1338827	1511387	3424428	2772531	1046048	1462007
1-oleoyl-GPG (18:1)*	1331753	492235	1539068	460536	598001	622290	2208704	959786	1609593	1036177	243833	789173	773545	414220	630747	715610	436662	438482	632133	870633	251214	770863		566722	693862
1-oleoyl-GPI (18:1)	327964	165049	290976	67950		166609	5151201	230681	530252	163219	81350	125703				165066		400179	430709	130189				139662	350347
1-oleoyl-GPS (18:1)		148765	584956	201449	53612		72155			110855									140148						
1-oleoylglycerol (18:1)	10531803	6751298	20395380	3825870	3297028	7594876	19637000	6562588	18310676	5889450	3379748	8265923	6425418	10703040	12249704	7288235	10201794	6648625	12961152	12816728	7972736	8169038	5674510	8928871	7413956
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*	4044715	6226438	4222103	3808829	4765978	3729360	3033528	2232079	2640897	3254960	2883078	4116423	3763567	6103896	4897489	5524929	5347297	6715261	2233758	3678907	3362361	3727759	2318153	3062661	3916856
1-palmitoleoyl-GPC* (16:1)*	1666098	2314115	2998790	1504217	3275112	1683383	6108614	1165083	2036785	1215806	1490136	1589368	1607311		1237623	1449520	2196088	1786567	1257548	1179236	1665668	1652980	1972908	1132213	1477428
1-palmitoleoylglycerol (16:1)*	1934009	1298659	1852529	818740	777439	1278082	1894200	879156	2320565	635799	342004	1362848	1123894	2172864	2426884	1699622	2024194	1692211	1746715	1954458	1748246	1436445	786408	1205750	1104054
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	483037728	569479296	477817664	481238720	518039520	640874624	416755904	492704384	432059072	490304224	444590720	468656384	534372256	576045632	702086016	642581184	689055488	676000064	556045696	606862144	637440256	588442816	704367744	538697088	608027776
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	7132676	8150461	6471967	5806236	6889738	9645087	5492270	6113980	5145020	8726449	7655982	4362471	7688475	8133827	11728772	10984734	13014484	12995502	10944628	9109377	8586312	10259670	12833080	7726639	9890429
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	337000	331788	249373	251344	358414	299693	184604	215577	167648	245729	262921	205282	292426	422521	484755	424543	655121	511311	308383	238438	283577	169088	231674	249268	239400
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*	84875760	85068576	68202640	75028000	90278656	107479688	48947496	76558952	50244604	82807824	70707560	60655176	76756480	80546680	101744896	102676560	92851848	118516456	55201396	71160208	82316824	68246072	89643608	60620184	73247648
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	1122086144	1264152832	1175426048	1156133376	1083419904	1089826688	956698560	1128118272	1033613696	1219724800	1142618752	1271198336	1139299712	1071731136	1150600960	1072574016	1183511936	1116483968	1054695104	1075054720	1146282112	1130997248	1091700608	1059592896	1026089792
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	146494672	152989968	138329120	134875904	125152024	139808768	74828624	110667040	101039512	130175488	115135584	117897400	130509536	114669072	113397608	136058704	136498720	139974080	123848136	106248808	96406072	89422344	106539296	92760392	88556848
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*	4507429	5189684	5200751	3952871	4051783	4180025	3119670	2967971	2736902	3531499	3044990	2576943	3964469	6328706	6534717	7633430	6689684	7668857	3253574	3605228	4876337	5112087	4581503	3717089	4337648
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	553023744	646981696	580877504	518026592	536395904	595239616	667758400	598830912	657181184	593150528	531106784	548206720	813582272	598497216	778484928	760818624	680246400	803126784	509539552	530110912	591704128	693494528	674224320	582936512	696010880
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	7585326	9618261	7659816	5780528	6312369	7321271	6546126	5397463	6422700	8314673	7524094	5456801	9151908	5836215	9643912	9353880	7861337	9647448	6181447	5063362	4514858	6701013	6904542	5611127	6829294
1-palmitoyl-2-linoleoyl-GPG (16:0/18:2)	1495935	2016235	2164535	1635931	1857336	1260859	1076248	842001	1104739	818835	561878	892519	1140758	1779184	2163591	2520207	1661254	2350459	927785	1061004	971082	839802	893320	1119320	1086809
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	454713	331384	436910	314654	328548	346022	249401	210510	154666	225777	195082	281966	416042	403393	409191	490632	417541	411443	289569	310571	257995	253015	222837	287712	231437
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	661796672	757958528	590779584	598915008	644475776	649849216	688844032	776046336	656625920	688043072	639191488	536285824	666691520	540541568	558448576	578611776	605958464	645652288	443046368	473475232	608516736	593654592	519248096	535856160	574683904
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	4567144	7618121	5464090	5306306	4698092	4273556	4617465	3831644	5445747	6088594	7412336	4452610	3568876	3068827	3463592	5133539	3891067	4963099	4214482	3713781	2618872	3960766	3985454	3144321	3242736
1-palmitoyl-2-oleoyl-GPG (16:0/18:1)	8350426	9555118	10049862	8133972	8655292	8002948	4337434	6174067	5763858	5403090	4099333	6316799	6784022	7938694	9210499	11387587	9040054	10688779	6193788	7167745	5824819	5233529	4768466	6696676	5440180
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*	1815642	1356740	1436222	1350956	1462891	1316279	578527	1313246	1397801	3525849	3037059	2532423	2166022	1282925	1510582	1703308	1941003	1320067	2582512	1656717	1042067	2237923	1541291	2180981	1601394
1-palmitoyl-2-oleoyl-GPS (16:0/18:1)	398813	784915	401789	402338	480332	339022	515145	428553	418701	2352867	2009210	234432	410965	279743	492298	506352	355209	500501	434005	393815	273421	387052	301802		297650
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	252605408	300277152	236579888	265921600	253162864	223328288	183950448	221351872	203314080	180288608	151347072	174150400	200030192	236896272	222148528	237048000	227810848	275048160	133618888	155220416	252225936	119816160	145819216	161343680	155042416
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	15028856	11335284	13401272	9640307	8544386	9737490	4708978	8117477	7439606	14792379	12187966	14473478	8971799	9020420	8155040	9506093	9110650	11087698	11543531	11499433	7412494	12521207	6271381	7621552	8258656
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*	196131		161246						195018	358492	236925	325427		114263					285647	127094		74741		209937	
1-palmitoyl-GPC (16:0)	68890896	82154672	129451048	68444352	101087792	81662296	95429464	50541176	62907464	38703076	47472616	65983032	63512732	51901288	67243560	70447232	83015120	85830008	56489524	62500300	80502096	68609720	89673176	54925964	61846312
1-palmitoyl-GPE (16:0)	5433589	4661317	17332396	2630051	8450746	3955312	5384553	1788798	3268706	2281620	3913916	2231959	3032077	2560397	3123221	3426050	6457946	3003003	5527699	3086872	3340781	4576976	4446509	1904263	1987944
1-palmitoyl-GPG (16:0)*	1559172	453641	2932899	230778	446651	373969	1169967	159236	671084	198912	108438	307773	285524	456330	541665	755851	931007	639040	927101	561413	364391	398530	235230	244288	239851
1-palmitoyl-GPI* (16:0)	335207	236056	413500	170447	146864	207724	1048238	100475	215786	245156	92859	250058	167647	274395	420444	428034	261212	408704	717828	316300	135240	151257	118232	184196	197567
1-palmitoyl-GPS (16:0)*	1506968	46222	4617487	146535	165484	248825	96462		117214		140649								353559	109712					
1-palmitoylglycerol (16:0)	44763604	20782646	24604808	48935952	15554913	40412700	24720094	20691044	38054312	50262300	45295188	36404144	19346248	58839760	64026344	72658720	29398824	52586444	56815920	48796776	28597926	26163608	20983756	65848008	24184914
1-pentadecanoylglycerol (15:0)	584915	414658	426273	384328	414229	471026	410001	335653	597858	518733	384239	437130	443421	454478	389721	505055	403837	597089	508731	541437	393828	526344	381953	358670	403661
1-ribosyl-imidazoleacetate*	47339				102347	100265				198240	495378	201109							193660			335913			353812
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	99796936	118064888	125755520	80335024	84185896	122126272	91361248	86970552	100203944	118023600	120714048	135970272	103948904	96459048	127019592	131280872	101566184	125496016	119034656	114046960	96738992	146848192	122345216	121383952	151554240
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	17118514	18157404	20204944	11881127	12422858	20631540	13400230	13811646	15958659	38633636	32290524	21348574	23044194	21790016	27498056	34994088	30339656	28455786	44773548	33380080	20221164	44954168	38475116	38170576	35320632
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	7970644	6790643	5947233	5563341	6013748	5999918	3871410	7652545	7168007	14284175	12372134	8504260	9314650	5357126	5384246	6425726	7285487	6396259	10031336	7277678	5173885	9338246	6985833	8184447	6984583
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	4521021	5649468	4215730	3577314	4005204	5457811	4112904	4124809	4308857	15058542	15494828	6780694	6450667	3504485	6026112	5328248	5447002	4706780	11024356	5955306	4124633	11251827	5860322	6149328	5874840
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	300249312	377641696	391139168	275541056	215150528	282570464	277664768	254168448	330452800	417191328	406969056	501895712	308432320	286831936	346282912	317852192	300207136	275871136	412154272	347160672	266997280	417678144	282192928	359489088	358670784
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	137016816	144837744	153508816	99756160	96079264	110671712	91493424	129407544	125723096	249128624	211503728	194460000	177355472	129747224	143985248	174152688	158805360	141495120	239343584	160999376	117573776	204312464	182852736	215052112	161909136
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	125032640	146225584	152062128	96007400	88477496	128854872	176174144	92128360	140278272	170213408	175558304	150316976	167669392	117509512	155951024	149394688	117772368	158571168	128368328	101666176	103444800	198526544	120212816	146182416	178812576
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	10167567	11349534	11884644	6297751	5977937	9808225	9727288	7538634	10839728	19821586	16107492	12734132	13722776	8533916	11912983	16060575	10667600	13376782	15370825	10381270	6376284	16149062	14299620	14397713	12777110
1-stearoyl-2-linoleoyl-GPS (18:0/18:2)	2867137	4570864	2313120	2676223	2551843	3191601	3233474	2581517	2088433	10984641	13799209	3755677	2352313	2291616	4594574	5716194	4004989	3543031	6339924	6060615	2725122	5584523	3515285	3471262	3238371
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	47713172	59807308	48242488	40853168	38904612	42014760	51339408	41725672	51132428	67700784	75675072	49071024	41871608	36001628	37158228	46474808	34319084	51203804	43950868	39602376	32865770	53610736	41625396	34892704	46068396
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	1696696	2557747	2646863	2148241	1723543	1553830	1826196	1425425	2562156	3650767	4501444	2056537	1485801	1328261	1664909	2255703	1300452	1877133	2871127	2086566	823394	2625499	2113191	1645840	1806632
1-stearoyl-2-oleoyl-GPG (18:0/18:1)	1459838	1045754	1018641	999962	1081321	1004345	763912	1679307	1518799	2917032	2447276	2214768	1927987	786693	863869	934577	875024	652024	1708475	1305607	781357	1794717	1270719	1294352	1163273
1-stearoyl-2-oleoyl-GPS (18:0/18:1)	9906636	15036526	9500917	10173275	9077994	8265358	9306427	6336637	10922373	22966100	36416480	9510298	8520214	6527854	12108466	14220382	6633208	10762273	15685143	11555016	7065231	15383358	9656794	8414906	8270585
1-stearoyl-GPC (18:0)	32990700	38234416	58705136	39065836	38907996	43695352	79654120	31362462	41705240	32008500	35584252	58441188	42891692	31134880	36221136	34246144	33285824	34403184	34906564	36371488	50729584	44342236	53223612	41473888	47477628
1-stearoyl-GPE (18:0)	8575207	6315147	35626840	3607830	8583870	5512648	19819516	2866266	8159293	7212253	11005739	5274881	6196720	6180772	4918180	5524629	11900911	4971068	19661640	6658824	6218758	15643849	10740128	5546818	7484871
1-stearoyl-GPG (18:0)	471840	53024	847027				542864		158017	88911		63804			77778		106146	71515	416035	162468	65176	198878			
1-stearoyl-GPI (18:0)	4797351	2250857	5138605	1618982	1405404	2349402	32301728	3036273	5279668	4514149	2240650	3255181	3469472	1616824	3056359	3719104	2732665	4034356	16117524	4557074	2213218	4382616	2008849	3353277	6890604
1-stearoyl-GPS (18:0)*	2258664	1268650	23672422	1764224	404421	526333	2799323	216094	526789	712122	2307186	410148	142424	741678	812416	603701	368691	590350	8592146	1118896	1109014	5208812	757653	1773940	369141
10-heptadecenoate (17:1n7)	4147619	2692148	4014116	1679336	1343547	2932127	19499016	1834762	5524320	1703898	1438999	2574766	1558006	2895735	3434132	2233021	4456242	5079999	5612628	3339870	2427317	1944441	1725959	2183627	2299209
10-nonadecenoate (19:1n9)	2432837	1956841	3489598	898077	925468	2061171	11109456	1746368	4674022	1103238	944887	1801570	1825707	1924047	3268593	1137390	2750688	2466927	2538605	1598071	1844463	1341557	912404	1556896	1786749
12,13-DiHOME	260379	446604	124088	126476	441962	378488	232988	172198	274710	231513	507565	346374	242626	313747	324041	344276	415424	444042	618295	267641	203901	611035	683714	273153	332808
12-dehydrocholate			294379																						
12-HETE	127157	117546	245738	63141		504545	411150		299191	147167	214463	358911	177746	140203	162985		316127	156950	836505	163012	141268	316600	289930	96034	477007
12-HHTrE																			108454			60599	45794		77743
13-HODE + 9-HODE	369372	790667	558127	155859	1752952	828565	1829721	198830	836537	1141787	2273520	368790	372312	1820329	446357	94254	1211864	545758	1320763	250738	365165	965761	1582606	153250	370585
14-HDoHE/17-HDoHE		101732				239121			165950			86445					301704	232938	570013		83625	199686	124511		244554
15-HETE	58411		151850	52204	73695	91091	264975		57530	30097	69027	40578	22052	36396	21946		60132		106062	23169	36324	91829	86452	27185	67719
2'-deoxyadenosine	69647	63877	69953	71034	58803	50733		185109	611336	228719	187253	135082	195061			27556			158121				35956		
2'-deoxyadenosine 5'-monophosphate			12316						20357	44126	52328	22351	24334							16845		74635	49753	32023	21519
2'-deoxycytidine	1390225	1977375	2113543	1230453	4893053	4519494	3761204	1637417	4168147	3519488	10529027	2627260	4338662	3887144	1688183	1328505	7372696	1682403	3874819	2226262	3400943	6073860	7727111	1811677	2561989
dCMP			42172																						
2'-deoxyguanosine	115373	277006	216061	23402	1256680	635976	365951	24368	781534	509268	2223734	168973	553734	576533	141139	68706	1587371	65273	648456	452175	558003	1034466	1621047	36649	122991
2'-deoxyinosine	67725	130163	235567		598936	262729	355196	24568	487191	264588	1042205	123993	248609	321649	80843	31697	664032	54463	379966	212071	263042	517688	841556	32556	227016
2'-deoxyuridine	335601	409854	515701	366069	360249	515844	281271	688048	447318	616931	664555	576103	640393	542814	736159	367058	800923	551716	348411	588047	861976	1008190	559871	864693	709104
2'-O-methylcytidine		156462	92591	48983	142834	130741	437353		172041		198581	76745	96182	95732	163544	66595	215142		141578		160501		265752		191987
2'-O-methyluridine	35275	48058	57884		41734	25549	99944		37112	28805	65784	22626	19694	26160	46775		41625	43664	41844		30402	21804	57618		61774
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	40137	65017	39664	12935	77435	54404	38143	16899	37010	214311	318849	83436	42144	19339	72125	18649	28742		103996	35925	68453	183427	50832		302246
2,3-dihydroxyisovalerate	223916	228747	356881	179061	449363	291297	326013	237071	239498	621293	1013324	241459	199754	287998	206001	161117	225053	209630	364928	260224	207906	1202934	292512	183209	1012971
2,4-di-tert-butylphenol	34995160	13544500	15620812	12508490	12676541	19796652	17598796	18243364	29395136	13741134	6934544	14850543	14159511	13707999	18816452	28519540	20085450	20771072	18691116	23023140	10677127	10104018	6426977	12238083	8052987
2,4-dihydroxybutyrate	2537555	2627326	3018211	3572576	3595898	3528344	2754189	1648289	3073577	6664703	7434895	3113586	3105600	3245808	2199234	3284037	2196288	3809004	4372205	2606900	2703315	6539376	2289133	1974898	7368494
2,6-dihydroxybenzoic acid	519286	1079057	544608	352037	2891172	850211	498997	66563	782246	2608798	3427627	1252796	807273	403468	437019	320771	1127223	442768	1348824	308957	297190	2079752	934999	176245	1598605
2,8-quinolinediol sulfate	24515	161760	21887		397816	142045	70487		185476	296954	517463	99025	180936				111185		269640	76249		344757	145733		47950
2-aminoadipate	364651	307124	404064	466755	382313	340049	523474		290690	491550	688385	250110		344457	367752	400628	270049	628505	489102	296158	477948	525216	284892	305313	517635
2-aminoheptanoate				83263					110741		83218		103380				70873					101244			116200
2-aminooctanoate	49771	28588	27594	41700	39180	33351			30617	52931	47274	58757	63033	45318	28800	34362		56788	56475	51477	23814	40830	50519	37379	34082
2-aminophenol sulfate	423808	640632	277326	81747	2014531	653411	235600	39203	350441	794569	1455219	545209	446733	171539	326507	206462	564620	109802	567708	306341	396514	699843	388326	61483	973499
2-arachidonoylglycerol (20:4)	1177535	362911	621808	319685	275210	1257196	363804	1053190	2709429	538550	279166	1883539	789301	477222	578450	1666734	988594	956383	2296414	3081253	652838	1484293	1424888	1156358	1105542
2-butenoylglycine		66886			240592		250339	325697	117533	47417	111801	67099	82717		131533		69523		146191	104898	142490	102163	81070		98717
2-docosahexaenoylglycerol (22:6)*	2493527	505130	532529	359215	249533	1485279	689937	1279076	5352579	390585	112376	2184484	1002674	784571	948653	2515473	1524484	1989150	3661675	4771463	1279915	813111	1210012	1760061	1735759
2-hydroxy-3-methylvalerate	98264	142206	127336	79997	192781	211974	1104508	454300	746204	392154	464790	299398	395392	102673	128435	112413	127147	173166	710904	161862	218066	1491555	475731	390266	1357709
2-hydroxy-4-(methylthio)butanoic acid	46509	98834	54293	71013	62009	55588	32796		43755	151626	240294	37067	29250	95552	71636	102974	96864	78508	69988	64815	30683	215815	48692	25114	70476
2-hydroxyadipate	525000	600027	465249	318914	671493	479932	679999	237727	681786	749729	1384605	568275	488585	335300	670428	620702	270862	339677	711909	473303	557684	648186	324040	338446	446586
2-hydroxyarachidate*	128638	99055	88425	30372	128644	91578	46184	64031	219165	381701		92644	104781	106626	76677	91166	121023	110524	189373	106918		118315	52969		85495
2-hydroxybehenate	208287	116007	142786	160571	117663	193416	130688	167889	243152	1095126	122837	134997	170758	148133	94870	183381	144474	180370	226935	207316	161609	126888	89163	94025	118837
2-hydroxybutyrate/2-hydroxyisobutyrate	2598399	2506324	4942489	3286398	3041845	5305451	63678136	40867624	39926240	6242235	6278202	6837365	21620924	3491396	4472925	3485821	2490965	2926505	8861505	6126855	5662773	11553542	19944472	10697441	49150332
2-hydroxydecanoate	165703	187990	193589	426544	194361	141346	267523	178015	169457	245128	218212	220646	146266	196857	191795	182900	205487	140306	197477	243812	190535	205761	210407	154166	136204
2-hydroxyglutarate	3119606	3179960	2990073	3309803	4035239	3200769	1885838	1741616	1953247	3242106	2966829	2684444	2548324	2645231	3371884	3075547	2589571	2666916	2078889	2580916	3807203	2235578	1550724	2254040	2778067
2-hydroxyheptanoate*	467454	716702	1129398	987145	844009	669517	1034094	376615	684483	902242	1548948	529379	731457	1228349	931273	502515	1001225	528541	752598	631777	508766	692659	484032	649798	502965
2-hydroxyhippurate (salicylurate)	219800	406422	281766		1455489	335688	215365	26729	402211	352522	858302	340533	357989	68663	137558	86328	350792	46031	324378	170868	82486	317112	198180		36765
2-hydroxyoctanoate	169344	207798	262647	284669	184458	170766	193220	208262	224353	236735	249126	185167	143554	194305	194070	150390	303257	213483	249136	232023	175626	202371	153122	169863	185996
2-hydroxysebacate		51091			74225		83097		73169	189422	164746	81367	51246	104910	68333		49615		189315	66573	65045	71331	97657	52550	127010
2-isopropylmalate										1625847	3868776	219863										504928			
2-linoleoylglycerol (18:2)	10295018	6484654	13571837	3310784	1830082	6682010	8962181	2986913	12456607	1486141	740146	7129736	4020204	6112731	15612629	7200294	12111958	8324947	9091591	12216983	8024459	5505039	3047505	5766852	6317885
2-methylbutyrylcarnitine (C5)	714653	684383	602178	845814	530409	586859	2168994	459720	1124086	4003436	4121331	2212554	714833	988416	618675	751645	842484	526122	3329511	2541047	1858674	2248011	1242933	1158725	2201868
2-methylbutyrylglycine (C5)	44181	148728	97701		402609	96887	475195	56057	365007	63740	160315	117543	111647		118694	61241	87502	43768	81177	33016	71332	101163	228554		247120
2-methylcitrate	189624	256653	211869	128845	145792	211197	286771	287777	262314	1052454	1232325	484423	274340	136139	319435	155202	300582	177037	729790	573107	233870	678153	529561	459996	579822
2-myristoylglycerol (14:0)	451301	639362	629215	225143	246801	798364	356961	238202	551457	208655	290288	547092	264372	843574	707848	789605	498011	671427	419593	960509	391707	341126	269495	400838	320223
2-O-methylascorbic acid	1760691	1269099	1713634	2102789	2132486	1771383	2257201	1704094	1957528	4038840	4542899	1635637	1223652	1308582	1069258	1149172	816205	1272490	1867116	1521785	1271210	1739032	1139620	1097222	1799783
2-oleoylglycerol (18:1)	8894560	5125347	15761015	3060108	2365321	6822237	8571199	5397991	15900001	1775173	1372899	6871635	4246359	7088692	9553294	6532519	7800449	6237005	7016966	10686712	6705665	5255569	4363446	7311073	5991634
2-oxindole-3-acetate	193143	169630	153649		316056	68150					108229	80640		132582	572959	69388	126715	86733	152149		377909	83682	207614		
2-oxoarginine*	418772	418718	376262	239354	464716	564729	128210	263279	306505	979473	1415528	681440	358766	392996	444523	389216	400752	394184	524738	427191	516495	828958	522802	343774	530493
2-palmitoleoyl-GPC* (16:1)*	448461	600789	517218	527921	585026	388605	635199	390742	418911	206076	180795	483741	313156	336326	421229	435784	207947	548132	189848	280319	349592	201033	279409	231916	286201
2-palmitoleoylglycerol (16:1)*	807625	629238	728714	294284	232567	576556	491454	402285	950128	193639		575981	299080	1002157	1010289	835890	905220	1015120	468925	910244	779860	454833	291251	525052	532377
2-palmitoyl-GPC* (16:0)*	5803773	3057021	3731749	2356954	2936115	3748994	3636492	2574708	3775276	1605236	859573	3083419	2398262	2648597	3004853	4264091	3509544	4638033	3139567	4073639	2266804	1949518	1096205	1832811	1334369
2-palmitoylglycerol (16:0)	14736524	7380547	8646605	7774944	4804644	13199753	5288326	6992645	13517532	5632349	3120490	12926637	6584768	11660515	11550040	17619770	8430576	18200774	15186134	19057868	10336740	6825422	6388036	10925530	8703984
2-stearoyl-GPE (18:0)*	2237603	800863	3254487	500905	628940	889252	1765472	422444	1389108	987034	815922	778599	838837	802889	1010831	1380503	1950887	1067806	4223433	1707505	702150	1885425	469186	772939	625782
2R,3R-dihydroxybutyrate	1627183	1491330	1765763	1650333	1950099	1698069	4100043	1463003	2396629	2103422	2662481	1639136	4038771	1819146	1522790	1779309	1400927	2167729	1929757	1368839	1565130	4475572	1188943	1313834	4637744
2S,3R-dihydroxybutyrate	1807796	2062641	1939600	1736339	2300925	2037999	8119602	7600520	4119785	3360664	4056701	1474863	6710220	1818902	1980967	1545705	1372821	2112238	2636560	1886355	2371394	3811952	1477700	1649332	7261445
3'-dephospho-CoA-glutathione*	20205		30468						33542	63614	67105				32107	36832		19343	20845	24942		28778	27006		23491
3'-dephosphocoenzyme A	25906	23013	28383			30224	17165		58839			25498		23240	40422	51926		47316		59921	29878	44078	60376	39486	62645
3,4-dihydroxybutyrate	500949	409779	453795	507429	733633	895562	614491	452435	876308	1575173	1857237	764263	794150	605129	362105	445862	467117	506881	835411	835032	643498	1120403	559040	452260	1458974
3-(3-hydroxyphenyl)propionate sulfate	463697	924464	418600		3549035	1078951	856036	114811	1310348	663400	1615310	680540	1149880	338852	509321	119258	1671149	210142	416310	211168	1038696	2843461	1807384	58897	66898
3-(4-hydroxyphenyl)lactate (HPLA)	2254833	4375501	2809891	1976374	1782150	2179573	5804533	1257568	4539750	4629584	4580217	2474582	4191739	2239272	4463784	2715647	2798117	2381018	3932300	1645550	2302773	4495725	3997355	2051953	6204418
3-acetylphenol sulfate	63932	145679	92173		1213566	238834	141900		267422	132029	301167	115399	195537	27669	32767		248707		79355	23360	77195	344181	189214		74727
3-amino-2-piperidone	480097	1009543	832814	90873	2762736	2348043	1899144	624442	1661363	1365816	3895706	1314334	1777990	1113671	366491	265747	1585320	985512	2553850	1264844	1765737	1382417	1430966	328657	563226
3-aminoisobutyrate		361106	1066950		487211		493644			800816	678239	375633	252789	320849	351747			227402	555441			588001	555466		618866
3-formylindole	272515	795110	433552	283246	1237256	606755	500657	225816	936110	636277	1570649	400593	967205	659064	355858	229169	1381744	199326	453648	424018	521037	656745	907639	203225	330432
3-hydroxy-2-methylpyridine sulfate	48348	95414	75563		345492	105705	55304		113783	154917	308812	136908	95319		25398	28853	121649		81949	30902	32489	191482	58246		48763
3-hydroxy-3-methylglutarate	2894568	6968695	3175500	3971247	5003539	4439606	14912786	2265522	5859029	9583732	13545547	4500376	2985481	2896085	6250013	3222672	3841374	3061404	6362651	4000284	3366112	6610694	6330362	1942568	6581840
3-hydroxyadipate	297706	430959	456886		312980		4182619	587737	576273	371088	710286	397898	284487	290131	335509	384508	158580		525324	437767	263241	545536	220510	275949	364907
3-hydroxybutyrate (BHBA)	4381902	6084729	4049727	2877784	2045691	5904534	23085636	44761272	11189301	6544967	6223738	4126341	16895060	6005669	10710584	4547660	4459431	2202552	6646647	6849676	6646398	3472750	7512431	6350091	12583491
3-hydroxydecanoate	243261	219332	217064	150900	179465	267222	316124	194982	311109	164722	262323	184727	192146	211876	234833	301570	300878	255234	328705	377102	250852	205767	192168	288543	250684
3-hydroxydecanoylcarnitine	971240	665311	1652740	1529821	1611912	1822449	159702	537841	960145	871869	813223	1096180	1130431	1455502	1775350	1168208	959307	1184448	941809	2519180	2131486	1516597	709384	1167016	807244
3-hydroxyhexanoate	61685	95462	48510	50661	64356	83315	216288	50609	128076	67519	73055	30408	57030	67304	93895	61702	98367	44847	93486	75799	68308		65514	65610	98710
3-hydroxyhexanoylcarnitine (1)	239877	330964				986857									642219	371090	462378				371760				
3-hydroxyisobutyrate	1785867	2780620	1315739	2596283	1244800	4094203	5594101	3495924	4979678	5072746	5470329	5861294	4363754	3277462	4048420	3191881	2273214	1615553	5081932	4717145	4992232	4664111	3690987	2551714	6683719
3-hydroxylaurate	245224	211368	306772	133392	197043	266680	410397	184773	466463	175523	324692	246819	218525	255055	224463	388007	366944	235682	455186	347067	272717	197384	215401	278839	267873
3-hydroxymyristate	1068378	854398	663640	456334	570937	825677	1181494	483925	1560695	725761	901061	579532	682452	570656	821887	1589654	1286373	1168461	1710941	1480079	780426	441360	593718	1035207	966391
3-hydroxyoctanoate	194347	271964	307962	249750	242481	209502	344682	232039	310030	208960	241805	191301	197174	250501	221873	208093	331792	258866	321152	292312	239182	203515	209815	192465	208637
3-hydroxyoctanoylcarnitine (1)	391608	277854	412751	650226	614889	936525	47223	149530	212756	171351	149541	380409	348325	553738	731956	591663	419005	415997	278205	673714	599585	395291	141849	257625	218208
3-hydroxyoctanoylcarnitine (2)	101623	104430	101296	185579	110924	436785	44916	62285	106230	53278	127037	151681	172691	130731	311897	145709	226901	151197	101892	239732	249466	115266		126908	71276
3-hydroxyoleate*	2085687	710908	1617539	535662	653238	1908517	3988132	948555	4792867	594519	477145	964129	869465	1091763	1227382	2063306	2362915	1974340	3415931	2791401	897421	872448	710178	1215007	1046359
3-hydroxyoleoylcarnitine	5938827	7040921	10624461	5970465	5127397	10955832	759541	6576583	12705330	1977103	1990770	11190957	11969425	11663100	14940820	4578622	5205332	7324313	3338220	10775698	12230864	6235978	4243239	10846783	4068062
3-hydroxypalmitoylcarnitine	3536097	3862863	7462354	5946967	3381918	5817635	407286	1907152	3079980	4661039	2970265	5639993	5242802	8611454	17812752	4215788	3656335	9763973	3224453	8812932	8310167	4839033	2355179	5902873	2117645
3-hydroxypyridine sulfate	325939	604927	422435	69992	1504569	451725	281507	59897	523713	1145121	2140309	998386	528257	127265	331725	205468	984613	109931	597298	307473	276821	983344	441946	73549	683334
3-indoleglyoxylic acid	25680	62255	47574		286491	152326	65068		145677	126673	382628	42047	138719	80189	22718		288129	13347	67790	51683	84059	109974	149268		30550
3-indoxyl sulfate	5595128	5764245	4486464	2267694	20608442	8081493	3975285	869719	3651705	11302171	13834555	5949494	3599622	2173420	7203734	1364961	4277428	2562271	8338297	3297835	3534164	5199330	3364275	2430297	7592722
3-methyl-2-oxobutyrate	10207408	3274854	5253567	5341302	12047640	7188813	242124	5929624	2128208	1356383	2056393	14653131	6528954	7301574	5536105	7245612	6734621	6501880	4881822	7659444	14282319	8539650	1427258	6354383	4792989
3-methyl-2-oxovalerate	1983336	728475	931747	960783	2112648	1294491		1795229	718165	316654	456322	2753927	1777192	2272786	1154665	1213886	1179011	1455623	1278453	1485721	3578941	1465937	608755	1549901	1041899
3-methylcytidine						52421	276057				78815	92433							186103			271616			143150
3-methylglutaconate	89514	158259			188556	101124			98328	609279	797589	195980	93007	57752	119410		103292	54814	281541	140795	87666	268068	130890	75568	315864
3-methylhistidine	312520	357637	311404	140102	351250	252282	252274	350953	299495	289440	248538		727132	109989	154175	159508	113820		108514		152408	707848	50617	207118	246619
3-phenylpropionate (hydrocinnamate)	73688	145771			48173					64898	56513		42857		78034		163992						58499		
3-phosphoglycerate	18021796	20253838	9819408	27896928	28302200	10350118	2798740	6691532	906635	470886	462522	5565506	564209	12580329	17818952	12679462	33064344	4819123	1230322	3192082	21883124	130953	818033	388969	565444
3-ureidopropionate	3350842	5817494	3268331	1159929	6421082	3949179	4302743	769566	4690487	13265263	20078168	4033353	3287373	3410992	11456524	2529825	8243784	2973689	5347410	2081214	6107323	6355388	6780166	901205	4610581
4-acetamidobutanoate		415196			337902					482499	540118	167520	263864		205805	66318	245233	168002		153254		435516		118777	302257
4-acetylphenyl sulfate	47428	66019	78818		233521	101682	54311	34537	135754	119232	150546	139469	107702	30475	38655		132748	92527	53497	19596		104461	65858		29429
4-cholesten-3-one	433191	558580	489884	360549	423982	546251	564082	547199	575115	577417	587104	371432	463031	375755	511991	380977	395404	413879	244683	245657	269741	333015	301951		286253
4-guanidinobutanoate	3007733	3800382	3335191	2161298	7165918	4461148	2037857	1075636	4418669	4792725	10207555	3357333	3173999	3447455	2554685	3042448	5212409	2494305	3236869	2946944	2548958	4397368	4177181	1256176	2222937
4-hydroxy-nonenal-glutathione	175817	174357	203953	137057	230116	111451	50095	76664	125003	99095	119561	100746	78449	224815	107698	147525	142070	125899	137880	105376	64187	144231	83999	66937	91341
4-hydroxybutyrate (GHB)	3943897	7544389	3308458	4579926	2698306	4990564	9547318	1768980	2440035	389287		1232485	1260355	2305334	4773564	3139850	3559606	4133208	2364676	3154319	3544132	1076166	2629600		2467905
4-hydroxycinnamate sulfate	29289	59148			202732	72226				167876	373853	101757	57791		41494		76473		128393	49912		200585	25311		
4-hydroxyglutamate	44655		26491	37628	62284									75394	41163	99223	36182	121765			30581	41653			
4-hydroxyhippurate	38416	61434	47015		244102	65587			44030	63303	180822	72929	56127	20390	38955	14685	65028		98375	44926	42816	214136	52181		
4-hydroxyphenylacetate		40076			144560					82369	101796		40769				93560		98838	42632			55077		65719
4-hydroxyphenylpyruvate	179081	273267	130200	111289	128852	204753	122171	81353	156621	171114	282532	119576	179533	129056	429573	165858	225125	143417	488208	134486	143026	114698	187053	66449	133385
4-imidazoleacetate	175853	518146	432940		1129564	391937	536377	306640	788084	797790	1446968	297515	482358	396262		364053	734236		1001195	240632		653687	673976		501819
4-methyl-2-oxopentanoate	2064219	719540	1029739	893418	2198309	1302443		1639413	520827	534255	603334	4133418	1714156	1359639	1087964	1266069	1100108	1429229	1512398	1721215	3807316	1489437	630419	2017951	1222029
4-methylcatechol sulfate	364557	658266	298575	38654	1904011	565923	377263	89250	762108	1117001	1746190	412581	701926	104149	251541	163151	580155	91851	367308	217486	220182	949817	388698	42612	325634
4-vinylphenol sulfate	60291		100978		227546	449912	519146		115882	1413732	1377515	102802	89600	100236	40030		92407	61259	862524	76314	43819	679280	742844	58846	1604717
5,6-dihydrothymine		734242	239125	214958			1142597		206289		397390				573398		874994		448422		403067	336619	506763	227170	795623
5,6-dihydrouridine	57398	98187	120395	63876	129592	207302	286062		106813	133668	222992	136703	118349	135013	203947	177893	107870	189075	322061	168140	167573	437697	152939	88004	824407
5-(galactosylhydroxy)-L-lysine	714966	846782	898579	718076	627425	887941	963479	771037	939250	911875	852537	772062	867527	1124781	1155153	1150875	1362938	1106473	1050201	1109487	1028850	1257555	1257514	1129076	1382579
5-aminovalerate	1561641	2171092	2329854	1483749	2065895	2335184	588610	1081148	282467	3092466	2799664	1482039	2134057	1804805	2726898	1707805	3840465	8513105	1655079		463944	385532	800762		3065428
5-dodecenoate (12:1n7)	266250	213117	200180	218371	453714	185971	360416	75555	322591	202771	292442	173579	182227	167711	204044	284608	305557	208779	439137	372733	315989	154096	209455	183398	166606
5-dodecenoylcarnitine (C12:1)	1061349	1398885	3384860	2266033	2795085	1868354	151261	1126860	1266818	1890492	2130755	2143107	2563469	2389912	3011766	1882330	2054182	1983410	1606336	4602765	4065045	2274317	1149646	2699854	598405
5-HETE							247138																		
5-hydroxylysine	182880	168828	251686	160084	111635	318809	328345		75151	75419		144329	172122	392461	285044	314257	254561	374505	68460	254001	328420	129920			165121
5-methyl-2'-deoxycytidine		18523	24350		61801	50737	36830		61331	36378	131962	30338	44818	36606	13785	17933	77343	19043	43552	22648	32744	80745	72196		28432
5-methylcytidine						37621	641806		41795	96671	149766	53913		62600		40963	65910	49855	274334	53916		86402	55169		76892
5-methylthioadenosine (MTA)	6214823	6951777	6285950	5580724	5320125	5007713	2256734	5920882	8448467	9401212	8829890	5987803	7087649	5087913	4864273	5690862	6843385	5238891	4826707	6575834	6327649	5884109	12810221	5799390	7827748
5-methyluridine (ribothymidine)	20374	16004	264852		29107	18032	207151		57198	43871	60477		13249	38793			26896	27394	85496		30249	29059	38830		119231
5-oxoproline	7773573	14387156	12905023	6668752	21875620	19000984	39030880	13113856	21959788	23996186	42643836	16292664	17648538	14708763	11842577	10684155	24404452	14663065	39203744	16013938	18119708	17857088	16155544	10407781	12025119
6-beta-hydroxylithocholate		26298	70778												42623										
6-keto prostaglandin F1alpha		45807	63094			261376		69977	121476	37088	150200	292021				31007	107579	53832	404734	75768	93222	227128	197142		44994
6-phosphogluconate	609265	658586	768342	746619	659562	754286	365652	383820	374412	239050	196648	631938	397125	797918	589684	862700	888991	1078771	870961	851278	694035	408450	528772	511137	300883
7-ketodeoxycholate	207076	1679048	1550212	31647	82085	201182	122969								459508		677966	308084	49333		58053				
7-methylguanine	311661	460233	554777	158813	1207428	771935	1128707	306680	589559	905527	1292700	651919	521659	317243	415853	264973	409334	279416	1386963	566337	721915	1684222	697641	404250	1801029
8-hydroxyoctanoate		64589	46930	34028	78416	72042	99684	31931	81613	201337	215577		67469	130889	53069	56025	83589		120781	74160	75533	109608	109509	52064	67052
acetyl-CoA	69719	71769	58541	36546		61689			77681			41999		33578	24117	95650	27248	93556	22564	63864	45217	44643	57786	20068	46772
acetylcarnitine (C2)	625436864	647792640	616186432	544416192	512975008	624486080	322586656	380610464	593824192	531052736	534762848	435784928	442160672	639828672	600958912	676540160	515217280	630878016	527534432	614498368	489609728	638100736	609722624	382818112	643265920
acetylphosphate	2407099	2381970	1191290	2461898	3238296	1587856		1047802	598956	489685	407142	1118150	534086	1386067	2090443	1757062	2171928	919663	972109	1057257	2382064	460636	798190	295769	
adenine	1826719	2902054	3167737	2748365	2079260	2510722	107711072	3104328	27923356	5243484	3822830	2805420	2487593	1713852	2489260	2658572	2442850	1435359	16075292	9359306	1181723	2314133	11006351	3160994	21323492
adenosine	28430564	39685616	24591108	38011464	18318854	40439376	9507246	72035496	404082976	74819456	52976304	46964748	46380012	11689764	34978216	21596176	22668280	11469641	6588161	15647252	13228417	20121484	26717198	17861568	10554611
2'-AMP			27947																46569						
adenosine 3',5'-cyclic monophosphate (cAMP)	253135	270801	221966	196555	269986	265251	149410	211735	455497	212303	262762	210485	163155	192007	206961	356518	223583	218528	293472	329077	237665	207832	224132	190712	190376
adenosine 3',5'-diphosphate	627639	434259	1002889	584733	521443	529776	59349	131082	716293	332735	330088	813096	306658	672580	430603	860335	233540	674697	452586	648162	311662	243346	186874	266761	203285
3'-AMP	80428		177985			124325	66969		227529	120251							75736		69546					47579	
ADP	11340382	15219796	15086696	12274743	12152611	15360903	7712268	19845976	19815488	14840261	13915009	18466976	18594404	13802571	11006674	12031659	14094935	11085058	16212848	14781153	8179217	23306112	17602470	13652594	14807206
adenosine 5'-diphosphoribose (ADP-ribose)	2608982	2961784	1927776	2980258	3822699	1954263	9953312	1573495	940779	1124259	1301770	1311710	1079030	2717802	3152541	2918770	3414395	2767436	2945567	2500599	3072103	1323980	1483156	1807520	7701036
AMP	16002849	42148672	37016988	30444694	25638966	35759508	4195054	50445740	50459568	138044016	112552280	32598476	53951572	22018564	34831992	21495752	39855712	20695750	36427688	31016736	17169968	70006208	47740856	27361786	31034224
ATP	2262530	2823255	1511600	2032339	6029152	1701601		1345444	212566			633255	384231	2475258	1900186	2281395	2029536	265776	74674	936973	1080201	183224	196410	496646	
adenylosuccinate	693876	684729	1879162	828319	544240	776671	28450	950840	980116	1118649	601927	772439	911340	989068	1587701	1409627	1478431	869515	757493	2497622	1184529	1058020	1487883	1225881	481313
adrenate (22:4n6)	8708759	3892804	18852540	2025980	1847050	6976681	21215524	3534230	11516549	2413681	1502668	4560794	3279260	4794555	7581498	3157334	16143096	7435723	18174968	7593554	6141441	3338422	2129144	4709148	6841937
adrenoylcarnitine (C22:4)*	493351	1291104	1165889	743966	342923	1534810	1996391	230871	1341654	2571690	2053659	2759393	2073177	631788	1863443	467831	720267	693917	5196405	2816850	2413900	1327863	2252289	3710169	1777764
AICA ribonucleotide	117396	53180	85340	127067	113114		371231	49686	137860	164714	109422	51319		53429	59290	118870	69456	114074	533284	51012		114534	215939		302099
alanine	1192530560	1264178816	1276144768	1294636544	1177547264	1000462080	2545034496	1153328000	1180412288	724106368	751107264	1218065024	1020114176	1439127808	1262999168	1615326464	1615563648	1396804352	1354751104	1292042624	1402118272	1096837120	1336865152	1180512256	1313135616
alanylleucine			554550				162673					47468													84716
allantoic acid	85612		76074	103589	193303	132876	89145	87741	137122	867259	1486324	130020	113542	81602		91780		63827	128166	96870	87039	203196	56271		152619
allantoin	13919863	12018061	13838912	11333899	18761648	20738912	15912722	13314195	16620075	28095420	31774318	22302324	18255648	12474637	12768959	12087252	11793185	12156287	25990974	14171289	16734726	37977856	15808918	13318573	43718828
alpha-hydroxyisocaproate	216600	208970	210559	154879	345555	233602	1372434	262529	544776	274052	382166	360791	286482	193372	173022	154117	180459	230459	373255	296101	336760	807032	651823	300709	1018383
alpha-hydroxyisovalerate	8246211	12890542	8919489	9056635	9043626	14983603	37242872	24028316	36958464	23887002	24273330	18237784	28330468	11427813	12519112	11715965	11540056	13602261	41784040	20306510	16897820	86635296	31695990	24794592	58858128
alpha-ketoglutarate	18708394	10528288	14306488	18318772	24685304	11229524	3909031	1724636	1217343	4501322	3073476	6979608	2114020	11193611	14275135	8580436	4970749	14952530	10973773	6490211	8831362	1514543	1119922	895354	1713491
alpha-muricholate		110554	2006833				111971								111811		78891	32461							
alpha-tocopherol	4138837	2763793	4834153	3071032	5110909	7339513	3379201	7800805	10128854	13299143	14929402	11384598	8137713	3972519	2882455	5953050	4765413	3378896	10623049	7040366	3929229	8757146	6911695	7429910	7226686
anserine	3659370496	3750517504	3502853632	3556109056	3855691008	3380031744	3456427776	4430566400	3972004096	4541383680	4584372224	3753787648	3736533504	2805829632	2421332736	2254489344	2688813056	2486881536	2585400576	2543017984	3056134144	3051947520	2540778752	3058132480	2809579776
arabitol/xylitol	481461	399570	482528	511503	660198	547790	3793461	292836	287501	648058	640806	622963	310953	553915	469295	361669	460332	556595	1159673	359066	261360	585519	353360	286301	1166572
arabonate/xylonate	450564	790389	632312	630546	992950	713022	967583	479729	754523	2403493	3149043	989386	841253	392938	402827	367488	751824	518242	1185063	574462	481056	1774320	697877		1133815
arachidate (20:0)	18067076	13156618	13161558	9855302	14721030	16856472	18863278	18012330	24055604	16023235	11474574	12589679	13173761	15622124	15020688	20721064	14760441	27175520	36075944	23559980	11593516	14823253	11019474	14647698	10310727
arachidonate (20:4n6)	57355960	28455010	140081808	10763838	15608722	51869628	432689568	16955792	123809136	25700958	12959591	28181150	17659530	28192642	38715640	58330640	89109200	80699232	384859808	98956832	27151148	36596080	35610748	32045370	68991440
arachidonoylcarnitine (C20:4)	2514372	4654515	8233927	4580298	3531883	5441649	6006036	2497556	11845161	50369824	56012780	11963072	7831239	5530102	8013929	4894172	7401801	5292813	16417322	11022239	13385446	15932925	13718036	20687238	7259814
arachidoylcarnitine (C20)*	1322306	5363116	2113260	1195034	734168	3214620	12611153	604901	4210055	1208360	1010562	3864607	4203595	3805976	4477682	1100401	1473182	2408409	8414183	4408369	3341657	1490933	9867468	3839186	11565397
argininate*	163341		141500	125800	157340	195022	387156	108562	129431	393343	616966	322811	135945		73669	130721	64303	84375	434937	172475	123669	327574	261029	176102	481285
arginine	264445680	278343776	181549600	213627104	187019232	241772848	1289478272	170998048	223787440	207720976	187315424	301140128	320032608	325622048	329499552	262042400	299578208	324738208	705699200	337779072	512655360	205550448	294085760	229425024	316587904
argininosuccinate	506115	343352	555218	392436	161078	610781	1341455	436204	657879	480499	312988	1232037	888172	606070	677798	462643	790502	368973	1451879	795894	1254186	703600	1079129	778511	616312
ascorbate (Vitamin C)	23099168	16688581	22480026	26028604	27641748	19129308	21101754	23598660	22063848	18757252	26046734	16010837	16799324	26240566	18266204	24453068	19271492	23938922	19265796	31136198	16356159	21006384	20534740	14301650	13881607
ascorbic acid 2-sulfate					49401	57306				131055	194654	104544	69074						118331		91994	127620		49360	113615
ascorbic acid 3-sulfate*	2444697	2175773	2718477	862699	5298577	3439706	2127269	3649821	3376390	10146483	15563036	6109886	2326766	2410498	4268783	1584519	1139775	1266334	9554863	2943605	7629363	9095998	5177342	3445424	10897963
asparagine	36937528	91622248	78507672	44437300	30084336	40263064	297761376	67934992	46524472	38562672	34053844	67867088	67759408	55944792	107499040	67326568	130363568	46984640	156335792	71005920	66144268	100306184	77792952	87148760	107917200
aspartate	48179500	45836496	86238896	54741084	40307608	29713224	715170112	231789472	165178288	168875456	178547216	131234248	143475744	56932012	90626200	49000184	161820272	51836784	355893728	82787848	50725820	283389536	232818544	511289504	543476096
azelate (C9-DC)	445465	611641	399025	427929	1118760	697098	444528	354042	633189	2340404	1510735	460562	826832	1265683	476350	381659	550617	446145	700313	495284	449006	1131659	1021100	529478	318911
behenoyl dihydrosphingomyelin (d18:0/22:0)*		211497		129810							285428	156653				339518	115670	273659	326490	293052		206119			
behenoyl sphingomyelin (d18:1/22:0)*	8221214	7756621	8615325	5471617	4914006	6377574	4189252	6913173	8065325	15704912	14672226	11094038	7046242	5799782	6924727	7661833	6914906	8029699	12864555	8003989	5353697	10507977	8512174	10308720	8266577
behenoylcarnitine (C22)*	63409	412599	211480	91930	52921	222645	3006992		205509	92838	175356	214691	218652	165424	188236	92756		116708	939278	179333	140629	90809	847133	174019	3161117
benzoate	3139046	5137084	3827393	3091924	5107290	2458714	2777933	3373838	3099715	4542749	6647518	2137074	2424941	2488553	1956713	2766674	4222884	2049792	3793213	2493007	2039472	2326621	2103890	2076900	2744702
beta-alanine	36759828	37613928	43153460	41142400	40003172	40272820	30823236	42495416	37169460	43795688	44013680	35680344	54968112	47656660	40214252	37982092	44064412	37445480	39798592	46825224	38280320	42482504	38617156	40192368	41919616
beta-citrylglutamate	80324	636640	253935	453127	417847	168173	492141	94963	324095	213743	534614	158336	91623	153236	263021	396491	133078	206419	480967	262959	160784	307897	367221	157795	221583
beta-hydroxyisovalerate	768775	1128246	844571	800656	923957	1043343	2478241	1425683	2498797	3463919	3800592	1974530	1701075	834788	1015630	803279	886378	934753	3143126	1259939	933235		1815977	1404334	3844146
beta-hydroxyisovaleroylcarnitine	8274421	9060301	8069226	8056550	7235817	7177836	3476994	5955872	5923160	17163912	16709512	13231993	8403922	10525726	10715272	10725069	10377584	9368686	16775940	16435807	8962653	14124047	13882292	10237643	10617144
beta-muricholate	430756	2666484	12043741	177025	261398	574453	1135932			48265	151833	112093	50320	86442	1082092		2239065	592497	214622	47915	463914	356694		41528	122723
betaine	185428048	304966816	216923632	174228224	195283104	259353920	453643456	124461936	157850032	192735264	263925648	164304768	184140096	226764160	388140320	210543984	388607136	232896544	238414912	181824192	200722160	212614288	249807328	179223936	290431296
betonicine	935788	1027679	593355	831685	976201	1056792	163990		284254	1519372	1941437	1221451	431614	731518	777425	702075	1021271	851273	995353	792577	567962	987161	558728	388456	1617431
bilirubin	89026	360300	129995	130517	155721	108131	118582			60069	60417	101043	81411	90250	465258	111964	401370	214479	293220	228987	119386	1055394	61867	186964	
biliverdin	57116	68107	172818	103553	74816	66602	68286		59354	297357	244963	163622	99526	73463	68630	67387		62066	211830	76086		202949	74515	74009	
biopterin					26853		15880			25443	35497		19506				24235					26310			16795
branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*	127864	63518	95646	63847			227157	52936	247649	99074	134895	136392	78243		73985				98822	124726	102167		86175		304177
butenoylcarnitine (C4:1)	250930	627601	187401	272942	130262	481924		352752	153393			199955	120345	273846	360647	209382	180792	217284	124519	271540	224726	125844	177924		180452
butyrate/isobutyrate (4:0)	172508	310169		38000			140865			315245	453355			76445	90002	256985	223009		156848				109763		372073
butyrylcarnitine (C4)	20477220	51457500	22363128	19953604	14738876	26507660	7775137	19312788	25431028	16574140	13562245	14403182	18761266	23518126	41392936	27708618	37887848	18125516	16612657	34155564	21780560	20640356	43687344	13907723	28141680
butyrylglycine (C4)	432213	536654	422881	90628	2147399	518881	817878	541681	889476	432749	1106253	689986	535649	277323	553038	243883	550425	210866	725050	428535	501782	689866	1713137	145205	738006
C-glycosyltryptophan	109334	116754	249067	158807	128077	310089	216377	162081	143883	277403	314667	303371	156893	217682	226008	164898	323917	237141	218361	157341	153753	208592	232826	160017	291014
caprate (10:0)	2110340	2043264	1596754	1966476	1910411	1661347	1473939	1990114	2645334	2962264	4114853	1744691	1551059	1743899	1568052	2257876	2628552	1707444	2909244	1704899	1465698	1349453	1308526	1560332	1775354
caproate (6:0)	600270	621498	1315987	419311	441387	378479	603986	238401	662484	820917	1064911	718799			598670	567289	561177	136854	831366	399584	198045	488774	327001	634979	
caprylate (8:0)	2306546	1615751	1773258	1671714	1934653	939620	1151049	1131731	2593494	6888284	7356894	1064794	1323149	1200569	1108388	1489224	2737399	1139153	2850461	1624279	947910	1200176	914990	1272129	1317717
carboxyethyl-GABA		75874	66874	78400			68617	55662	85762	172060	239539	126411		146962	55905	65304		105142	106363		72454	106548	90126	81078	114802
carnitine	387829120	384707648	423773792	385780992	396547744	356720576	391616224	267459072	304268576	263327456	274336736	236581968	286915008	387789792	379069152	536005248	468824640	377536992	381370496	438031392	305949600	457045216	354560864	312960000	475998944
carnosine	2634531840	2415735552	2360761600	2456550144	2628026112	2439734272	2050860416	3530376192	3095491840	3033390592	3078151936	2666964224	2747554816	2580246272	2086477952	2442666496	2466797824	2555058176	2514573824	2605671168	2346417152	2412182016	2735328256	2486775552	2135680128
catechol sulfate	5948462	7256350	4195649	885148	19967216	7055117	4406148	824658	9838433	15230383	20534260	9841436	7478239	3708584	3728741	2575904	9173271	1662522	7971215	4404313	6280161	10983569	7243286	955653	9271773
ceramide (d18:1/14:0, d16:1/16:0)*	87370		78173				272407		67131		97005	91427						83074	131945		71353	71969	79088		
ceramide (d18:1/17:0, d17:1/18:0)*	1831844	1451609	1244790	909265	1100330	1315744	1765695	4062473	2829671	2747470	2525231	3724328	4301411	1164889	690775	925987	1287334	1068394	1988530	1197768	1950952	2280637	1748208	2421830	2293854
ceramide (d18:2/24:1, d18:1/24:2)*	837721	612945	1263512	525311	457434	1157610	1794404	266098	1828946	577502	2012767	1996250	739812	576096	782176	684000	572032	1096247	3078702	866647	860157	2653897	1283538		2248582
chenodeoxycholate	87757	125018	172348				48776											43971							
chiro-inositol	652086		612630	658800	615295	538437	682759	1074721	606007	907370	1142102	827731	717724	738537	618315	682213	689379	789389	1132788	824980	584857	912282	839129	1063455	528205
cholate	313446	5502086	15233107	152478	124964	756021	1776731			69462	180807	42493	69191	126124	1707735		4351750	455964	417068	102797	501846	282930	53711		181708
cholate sulfate			121211																						
cholesterol	23215234	25013668	28251730	22288112	21261692	21638552	19644904	25143452	30981792	37315072	34648684	32380590	27110548	18167680	20271758	28229040	26507664	26787252	30032922	27018942	20372548	26854366	22489080	27057480	27853544
cholesterol sulfate	82123	102869	213561		98449		66540		167777	128125	277503	93693	118635		119952	75921	197410	82075	142635	70360	119175	287725	121739	87819	84072
choline	217816128	237456144	363264992	217239232	177400096	208436768	1210366080	1116677248	929248640	1316844928	1113772800	1094115072	913812288	265786352	371758496	229398016	319641152	281208384	771522368	278552032	478683104	643644608	808142336	757377856	666283840
phosphocholine	17852292	26036704	33583624	18047864	14351317	16976984	66658112	9298248	10540379	85889216	75021488	14577461	13156831	20508106	38099400	20677672	24086820	17758936	35523064	22091706	14461658	29494476	7686125	10337942	12687691
cinnamoylglycine	1123958	1289903	1156916	75898	1890282	395807	189914	175371	385425	300977	567596	991825	467343	548876	1804279	736111	623579	310425	1203127	686315	854416	962875	454472	96083	116494
cis-3,4-methyleneheptanoylcarnitine	208168	250022	255268	237170	258866	272723	46370	70167	167423	1553762	1779877	131723	263623	306475	571196	280204	375703	350555	188065	541901	343792	791449	178150	200006	128905
cis-4-decenoate (10:1n6)*		72948					144399		178869	74260	162787				73518		128664		98539			119922			87682
cis-4-decenoylcarnitine (C10:1)	664816	824814	1792465	887907	1523035	1141693	184985	787534	1639246	3067792	4066354	1065854	1468591	954737	1390661	1186756	1623346	834344	1412375	2649081	1346638	2726599	1580131	1208121	598042
citraconate/glutaconate	16240528	15658020	24660784	24763280	26633724	11205085	704248	14859072	2414597	1486868	1759029	23068892	14309587	11310616	9827515	13597037	19864716	28733176	18203820	32067200	26811038	10438058	1632615	22140284	5624263
citrate	66987872	59705888	58234804	47264112	66847280	76852560	31530566	50983884	76470048	88612472	116241768	85116976	53717040	68670232	63323652	55495008	85126056	62494264	90860408	77978032	57715532	95144896	74122472	50726392	73227112
citrulline	171538016	203640672	148998848	172742672	168952416	210227552	375316928	60114080	83753136	219339968	206728064	146265648	119186496	169520000	228044224	196898160	187446912	181972352	191545616	179428944	132885352	221087776	136927040	106827152	131725240
CoA-glutathione*	537392	257413	505027	261563	238885	236983	64229	55633	392513	516530	738560	225402	72223	187274	264127	559712	201331	284901	324707	453329	58796	224473	60224	67729	51355
CoA	295460	229826	250838	153023	145873	211652	76586	136500	324847	38703	54012	186265	139193	179357	208188	454784	143790	260848	162321	412858	197846	265545	317052	175886	147661
corticosterone						79418	158633	199467	346753	127824	122178	406504	223850		54923	61760			388413	526269	261296	886949	383514	571630	700489
creatine	8895567872	9215481856	8783519744	8758898688	8941935616	9073949696	7927054336	9617541120	9154608128	9172839424	9292508160	8577883648	9647080448	9012308992	9596680192	9370993664	9266710528	9007216640	8465677824	9480210432	10416025600	9450599424	10040802304	9731077120	10204239872
creatine phosphate	16782664	4670053	3524308	7206145	19537012	3607944	60310	1856815	600527	6260047	7148917	3390953	2725673	4454994	5435352	10498203	4549640	1270010	4053520	2731350	5249220	939297	141768	2768657	183197
creatinine	533399872	525268928	525608320	493625856	553869120	555304576	574223552	578134336	573833856	542579200	565616576	519483616	554576704	534747520	506282368	583856320	564471296	571999872	523974784	602600768	616937408	567415872	561658304	550677824	611303680
cystathionine	421582	290504	376459	354685	334698	397301	410482	391421	431996	422777	388188	474828	567522	562161	382883	652028	489141	690092	608708	484049	481806	1100886	739204	510426	745553
cysteine	5002667	5959227	8250203	5815357	4537199	5777598	87895344	6199496	8651190	8461211	8964769	8239495	5801170	7533550	6138410	7968495	7006365	8147353	12713057	7331068	7225627	7775004	14921987	7522809	11594409
cysteine-glutathione disulfide	244258	236487	277288	289915	201304	275998	1951731	278547	418169	217765	193181	291064	252991	216090	233969	232340	262692	203573	402021	251194	267518	326255	458935	356491	375284
cysteinylglycine	1815944	1654679	2103195	1656995	1866137	1585205	1439554	1214480	1840343	372353	400404	1318970	1004124	2314097	1707999	2181995	1548921	2370511	1602664	2512539	1252391	1717339	1525656	1250440	1145523
cytidine	8936516	6246420	8626263	8442537	9818743	12104713	66443376	12570428	36253984	24658854	27869452	16279730	15585460	7589431	5970237	5714552	6692052	6674546	36910152	3983623	5679629	10521270	13296880	6476559	14097802
CDP-choline	374202	457174	682988	347293	162733	399362	2328111	3290289	6204395	8612782	8972059	1918893	4072373	425565	667856	473953	424692	488013	1938720	805915	355524	4984939	2146401	1485635	2174555
CMP	4429400	3289530	5888231	3796692	3633771	5837787	2730781	6705950	7636080	11875878	11109961	7929672	8608261	6061975	4580857	5436823	3732874	7537341	6342033	6506639	4927823	14785295	9464206	8833105	9064463
cytidine 5'-monophospho-N-acetylneuraminic acid	421227	292484	517286	364639	319185	302079	228490	373518	602006	601290	644145	252028	339385	430958	288317	382213	264625	443807	545795	558595	345895	687448	628011	323422	394398
cytidine diphosphate	641009	467504	559903	598888	642726	521376		526535	369622	321160	207282	525956	517858	480607	365883	651192	329114	753479	275082	534028	467435	622960	101192	584191	161740
cytidine triphosphate	707758	440187	586513	760099	1006605	433002		255732	111818			368981	152559	559096	413861	703088	526646	448784	371431	630326	360009	98934		312789	
CDP-ethanolamine	214059	261583	265760	194401	152663	189927	307523	797004	881559	971664	821412	388234	487684	252112	304418	241806	273648	233987	283749	190083	206630	334574	811900	506294	682603
cytosine		176609	113053		667136	368404				379416	542015		270085	219709		84343	334318		757191		165292	877944			291873
daidzein	94948	159513	179062	41312	395613	211634	86100		272035	445237	666667	185820	176227	66082	113896	155918	267903	61882	292338	72815	45351	305141	172921		47871
daidzein sulfate (2)	300556	639731	515474	27146	794815	197811	138278		335061	146090	199399	359924	326333	117910	410650	294719	907397	84026	828023	339528	214636	972301	392965	49948	61358
decanoylcarnitine (C10)	2058845	3001080	5306551	4284879	4009281	2659098	343114	1907819	3144291	4259459	4084260	3046216	4327921	2977348	4650459	3514175	3461905	3823066	3105166	7773003	6288739	4053050	2158204	5120275	1335356
dehydroascorbate	467527	368366	558977	585675	444422	326592	357658	374756	368492	915481	943679	468713	379740	445951	359319	403356	351643	482195	558350	501077	254854	373239	356133	329646	381985
deoxycarnitine	42986592	55106432	44270456	39587112	35587824	45190608	23760692	26539528	39250264	65562216	61988696	60505872	42100348	45319772	71672776	52199708	65481340	51029600	62135756	67491296	34429756	79726840	58262156	49454868	52204572
deoxycholate	317729	1722291	273820	128471	139944	234334	137796	128736	248921	87008	178066	142513	396882	294396	1728582	99701	1730629	341164	108106	131372	307301	59976		101734	
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*	567080	692376	671898	402362	291563	312993	490750	159347	472511			170993	203251	1132013	834549	358740	967861	941491	237184	206977	824485	85231	61768	181931	470723
dihomolinoleate (20:2n6)	7702006	4803448	13108243	1609381	2466065	6240679	30453448	2553280	11826867	2562778	1894085	4644415	4385840	5373262	8218927	5612456	10227146	8153279	17792716	10888148	5886234	5322131	2922316	4675023	8233367
dihomolinolenate (20:3n3 or 3n6)	17768534	7272927	23747638	3236012	4327380	10595985	51639048	4207755	17236140	4184114	2838777	5258720	3930990	8294314	9986283	11509553	16872680	17902532	42576144	15464966	8298789	6083298	4743123	5288782	9980466
dihomo-linolenoylcarnitine (C20:3n3 or 6)*	1959254	3081303	4220783	2794042	2251810	2965443	954815	1062471	3372095	6062753	6415417	6450657	4530108	4144228	6894081	2562722	3020215	3346496	3723919	6817798	7665049	3895568	3871405	8572309	1257458
dihomo-linoleoylcarnitine (C20:2)*	8848297	19776548	12670449	6193444	4981704	18115280	5816849	6073432	27424688	3663804	3527141	43023680	38621912	20374876	34076728	7858281	7024300	11832920	9927389	31973530	34670564	11335270	21490932	38692472	10615028
dihydroxyacetone phosphate (DHAP)	4781685	5446538	2271944	3587320	4467526	3287080	532150	2087943	1695568	295829	177594	1122703	1672653	3872056	4472944	3926157	3200713	2336877	1766277	3912280	3335213	869589	744212	1506696	246515
dimethyl sulfone	319030	297416	183845	145058	261319	416337				646411	393547	138038	196969	266054	256080	65088	116340	210219	80832	198738	97629	93346			39708
dimethylarginine (ADMA + SDMA)	6207851	6349995	7484062	5604660	6608194	10574921	67824168	4800978	8127319	6361031	6479760	12128643	11812258	9157674	11736257	8690623	8935784	11304338	30844860	11575182	18682324	9344301	10423116	8088991	10950713
dimethylglycine	11018545	8363495	10278628	10065996	10694350	17725070	17668220	13940331	28565040	13126412	13817150	16439937	29425408	13830495	15749417	11985162	12600290	13714327	25004448	19642938	16477306	28909884	25320560	17261860	41229416
docosadienoate (22:2n6)	234817	160082	583878	47866	53089	271642	3194240	95202	659484	184079	83598	221105	186602	246575	320841	187560	393919	292510	836665	458451	245889	308532	207391	183563	1049205
docosadienoylcarnitine (C22:2)*	990633	8328504	1321473	659799	406989	4428510	16152937	534407	5585987	94468	88607	2810847	3389609	1250664	2619257	633755	1498792	732572	2533625	3233000	2090512	660762	10851030	2193530	19828824
docosahexaenoate (DHA; 22:6n3)	214682688	47736472	346037600	16257245	52677084	68766736	580646272	32698704	235696688	52229304	32239296	56014276	43478048	48395288	47809088	77401112	178058304	74764544	895573504	186169952	53895936	84735952	46184940	46593436	70171120
docosahexaenoylcarnitine (C22:6)*	982563	1395211	5304023	1967723	1492927	1580114	860069	2189239	3112407	52100608	78697176	21662826	19094812	2764172	3691569	2318943	3602428	1717088	4741205	6787246	13600311	5900070	1441069	48413560	2714095
docosapentaenoate (DPA; 22:5n3)	29822762	7686729	29051568	4589795	7843017	12702745	65171972	6029257	27484944	7970722	4690904	9844458	6479949	10236171	8987093	17936964	18415692	20718816	66495276	27543352	10010347	7723780	6444386	8906790	11283215
docosapentaenoate (n6 DPA; 22:5n6)	9923952	4209604	15050310	1021402	2895263	5046036	20713378	2283501	7934376	2913341	2081747	2622010	3010222	2932725	4892499	4176637	11721012	4199701	31213514	9969274	3730857	5095735	2574313	2437420	3823984
docosapentaenoylcarnitine (C22:5n3)*	781764	1490234	2893240	1854787	754809	2082078	345178	861824	3065664	21573816	25566056	19918750	10331844	2571032	5042577	1519203	1609602	2112617	3884403	8976506	12052823	7120745	3406531	20459256	1905270
docosatrienoate (22:3n3)	103517		323409			83685	752635		166937				86741	83260		89084	143304		1173801	225635	118613			28322	108459
docosatrienoate (22:3n6)*	189882		499189			90105	464250							12842		18742	19728							72305	
docosatrienoylcarnitine (C22:3)*	347242	1859481	535391	538514	269731	1493342	1336030	76169	611913	173403	118708	903788	777095	790517	1255213	297065	509926	422531	1928868	1403527	1109813	280807	1666390	872052	1233811
dodecadienoate (12:2)*	103016	125954	108963		63342	124731	158150		149542	71876	77419	66356	105784	96627	102043	80410	116305	73228	129668	100614	146573	153953		85815	118314
dodecanedioate (C12)		180183			117586		144268	59277		101936	87127	69247	91637	96696	129221			119442	171070	171750		97097	76445	115050	68549
eicosanoylsphingosine (d20:1)*			114050				11016												35090		41451	44059			
eicosapentaenoate (EPA; 20:5n3)	5081641	3163599	4480574	1305426	1555811	2750049	6729639	545802	4153900	3310423	2252112	2616210	926379	3679705	5339946	6686723	5198022	9163698	16919606	7934519	2130940	2472269	1599876	2480263	2376126
eicosenoate (20:1n9 or 1n11)	13684932	13482989	22472520	4370964	15079427	22178646	67085944	8052595	43753216	17080640	18025278	10523177	17349122	18784376	21806860	8017973	25143048	15356501	22738474	17667616	12575569	17697868	7640695	7161771	11721729
eicosenoylcarnitine (C20:1)*	7755583	21869314	12737725	7135287	5280801	19836416	32367418	9964385	54359196	5463628	5439477	39253304	51444532	17559258	27901790	7354268	6877392	11805358	9824072	24020212	30396630	7910470	26996990	44436376	22319072
enterolactone sulfate			25150								23450								38263			50193			
equol									32730	18837															
equol glucuronide	222845	145837	123592	28290	327643	90189			46612	271661	457461	296079	46160	99248	198242	83193	128498	105817	255800	120195	258267	125296	79455		145283
equol sulfate	1020585	881144	669731	475889	1431511	472044	199722	29734	430701	344823	580453	568242	493199	679090	1038059	426143	1386030	1075441	906270	481516	844857	1385315	448647	142511	176553
ergothioneine	32603220	33947448	52671480	39453332	30071688	24322398	38099576	21152694	34084424	61969840	69674080	40617128	22972988	34911912	29536032	38237924	28287334	32308258	42077620	40388820	21464286	38161032	26524124	26610416	28458698
erucate (22:1n9)	2558662	2002374	3599975	1123552	3035628	3221223	5452296	1611222	6381183	3879287	2768509	1953508	2222776	3219429	1837559	2282006	4627203	2655619	5204399	4697667	2003597	4784063	1487432	957552	2371523
erucoylcarnitine (C22:1)*	517935	4456742	818536	476674	344112	2583134	46071756	427151	6061504	781978	822029	1522945	2567124	1173538	1280837	363954	698731	558019	1855442	1389617	1088542	247895	6612266	1500988	21457800
erythritol			179669	129218	308152	278227	348855		221869	538691	566258	339744	158550	99491	161820		176373		359153			371178			798798
erythronate*	7151067	6659485	8386987	6401875	10892397	10505746	12337063	7005149	9466191	17228808	21855480	8649808	10404544	10487600	6591247	6302180	6637840	7024135	11781191	13234894	7218716	17994744	7795723	5633660	27908056
ethyl beta-glucopyranoside	144385	257610	139706	159631	182727	229291	39232	54060	56034	206429	261581	178840	206179	169782	168493	163413	216820	147214	168625	136777	80533	585291	113003	82493	205862
ethylmalonate	1892543	4593979	2054089	1416831	2601989	3268358	7709680	2890018	5269790	4324253	5271185	3381589	3052913	1432016	3882548	1672837	4175745	1267335	3206626	2540845	3470075	3603655	11476141	2090289	6429095
ferulic acid 4-sulfate	201343	196322	211178		425861	228179	22264		65149	401583	1052713	400747	106002	53115	397053	130377	182651	37168	579535	230523	152397	484412	112270		84459
FAD	893545	850008	1109715	652341	611282	692762	679915	508146	884666	804067	741072	695570	531798	675617	826484	1050650	717708	718417	779103	716006	497890	558551	516208	648088	534296
FMN	144647	107491	153703	124539	105738	107013	108089	76024	127199	97215	118919	89219	54708	133174	138552	167549	115115	113943	134196	119568	74568	59141	84800	84045	77791
formiminoglutamate		86120	87366		29134	47209	81221		30091	456258	638780	216270	65225		116484	44295	73632	388261	786466	113929	99626	1120439	142335		656187
fructose	1165768	3542710	1250460	602696	1730193	2704520	1845212	3741844	3952288	136471	262978	5093477	822681	2104958	528913	1627454	2841976	1540247	1475310	1644082	3671495	598531	5046652	583398	1906803
Isobar: hexose diphosphates	18791656	16976420	7271480	15963729	20699660	9536188	107773	2369115	1206602	398439	532184	3821987	1221681	10171477	8330906	12574176	12630834	9270517	4012703	5949464	11037483	742801	881638	1149553	394176
fructosyllysine	1082267	892539	830026	577618	816854	861568	401356	368737	426711	1509604	2650553	1667026	702635	987966	1136149	1060401	1172158	1141638	1898275	1670783	1250481	3064591	984119	799060	2150185
fumarate	37800336	38343512	52347856	58467148	44364352	37077720	56798592	51045584	49552320	32824516	15883536	67615288	39451808	63615292	70576528	43333440	69192144	39103508	48663776	44034980	46271152	34562424	78319696	60000848	67051008
galactitol (dulcitol)	1399105	2257670	1606006	1114834	1489454	1740241	1690354	2360684	2495109	2570058	2117826	2857293	2353242	1139364	1209126	1056709	1176623	983224	1252215	1480396	1298289	1253937	1157454	1567590	1374838
galactonate	2091923	3372196	1938126	1805627	2197694	2186821	1857753	2812406	3076776	3124417	3611058	2595837	2967156	4571744	3644482	4424058	4222553	4001759	4451245	4987097	2216823	3506207	4667524	2849049	2848067
galactose 1-phosphate	551545	1121401	547055	374894	479841	673209	464649	673111	326509	64345	66037	986093	661357	661378	747856	751442	926052	622447	626635	785387	712386	578643	688626	415081	507419
galacturonate 1-phosphate							27247			42371	86778					28537	49694	73794	39205			27244			
gamma-glutamyl-alpha-lysine	121146	69511	133904	142105	105780	133691	164262	28094	72663	152629	226967	85425	63118	98085	78894	52748	178813	107130	80302	43788	60460	163574	212112	93951	95657
gamma-glutamyl-epsilon-lysine	202794	302040	648699	69779	800235	391735	1690033	240001	713799	1058206	2828905	555499	626653	726757	290181	116974	1763927	190589	911671	563703	464908	1007002	2313656	210770	445213
gamma-glutamylcysteine	339835	328530	427735	440678	239052	569813	158167	198005	472313			541173	308596	397807	433257	441829		531125	210037	519604	484367	700566	620212	341692	420268
gamma-glutamylglutamate			165082	36302		328594	511289				102920	106741			127255		156964	346193	1190198			335478			
gamma-glutamylglutamine	612941	1302238	1096866	1088420	826192	1130387	71383	371213	534959	650350	852573	1421171	545936	1019911	1367976	1540715	1866892	1808665	1326358	1572232	1126453	1709081	840286	884060	759016
gamma-glutamylglycine	246489	223810	445298	257605	229750	598215			260154	257341	338405	407102	338624	511189	335653	405810	859962	602382	446504	329427	271449	402082			
gamma-glutamylhistidine	53435	124095	148877	90060	87177	96761	139422	105602	113754	164379	248265	204422	187238	89337	64446	83007	141804	97194	191680	111920	71473	211518	103641	87120	86637
gamma-glutamylleucine	159120	190440	492195	191372	138033	180632	422858	234816	219661	333875	364811	351532	181239	223279	175741	147967	191894	217061	495605	220575	261254	363500	307177	320741	394527
gamma-glutamylmethionine		35467		36386						45102	64108					56090	39526								
gamma-glutamylphenylalanine		42037	57576	19192		50930	79135		40010	38810	64471	68413	52293	29042	26497	27029	65244	31042	100074	33812	26336	115857	36434		48571
gamma-glutamylserine		98217	69242	28672	31492	81533	73999				65425	175443	33478	57456	81407		218123	63260	267406	92511		134651	46545		
gamma-glutamylthreonine	496860		306810	306422	278246	366490	70329		224525	244128	187354	401686	339418	294683	275536	394033	324713	309754	298723	354341	317701	481554	113805	207266	325667
gamma-glutamyltryptophan			15008																27575						
gamma-glutamyltyrosine															25720		43606		38191						
gamma-glutamylvaline	329849	195092	284544	296366	239957	239876	291248	295094	346371	244151	344396	373863	214809	403366	218783	209356	379649	337579	350714	200967	252411	342758	240218	236614	358432
genistein									24588		21792								20832				28829		
genistein sulfate*	113170	236335	198074		186827	73402	36119		75895	42451	42108	97990	96381	39227	188171	131230	322731	63481	413193	153448	45973	493048	86684		25660
gluconate	752980	1081343	1061502	790838	1071547	1253603	3903847	916455	1437589	6029911	5305439	1540474	1274855	845311	760105	1136009	1234646	1242591	2644839	1164379	1012364	1830545	2527196	828178	1978318
glucosamine-6-phosphate	6988279	9891452	2442050	6226737	4772593	2801195	659801	3994989	461023			2358236	359914	9252410	6438683	7368566	13964168	5807418	3168344	5783498	12323980	392875	5485695	1542657	566394
glucose	68089664	57134088	60225624	66885684	52950408	86303432	3645279	78149248	14929878	2106065	4708194	88707696	28366556	92148536	53148704	69764864	77724144	118254784	33900684	73922040	120404648	31760538	55567780	74728192	50866796
glucose 6-phosphate	4194975	6209995	1621157	3644540	3103003	1997252	797731	2452303	259834			1518162	324482	5051487	3642021	3244327	7328944	3113911	1642968	1949691	7136834	208025	5903944	1257149	577070
glucuronate	165528	83194	155435		158268	203571			73852	294470	688245	152593		106400	277439	146666	124328	132659	404190	127909	201879	1975590			416674
glutamate	786400192	470221344	821143424	717689472	686319808	325641984	2397739264	235922784	257376272	372334976	398706080	379210784	208986192	588477952	719392640	532286912	408295840	720760256	1093835520	377462912	363524352	421018368	242784048	327921216	520907072
glutamate, gamma-methyl ester	28286958	30915368	55643572	30093480	28580624	36404272	18298856	22754102	31166778	20945276	17605828	31288320	26266608	33089724	85225328	39615756	34611860	36667976	24775572	33868784	28062444	38127364	31880684	31318636	41268432
glutamine	1040047808	1583802880	1564113408	1241539328	1168786432	951636416	1918918656	1202533760	1015781760	1434337664	1299703936	1264420736	1081216768	1346456576	1776223616	1545125632	1493908992	1245914240	1257381120	1279214976	1217640320	1320917888	1135490560	1087009664	1179154560
glutarate (C5-DC)	812877	1306048	656104	763753	1517222	1158685	1618025		1330821	1061218	1484822	665805	774082	711265	1309894	583754	1365789	1461293	1076925	673040	500856	916202	1877146	355765	1270611
glutarylcarnitine (C5-DC)															50725										
glutathione, oxidized (GSSG)	14788829	12925958	15289460	13811101	12885403	7425938	6165826	6114816	10867186	22191516	21086508	7685708	4746757	16481146	12975383	12012630	13987213	13960292	9822746	11624743	5611191	7598997	7123347	5783798	5581875
glutathione, reduced (GSH)	91600016	62628792	90794144	96510112	96258584	62847400	59985040	51866412	91892448	13184494	16375349	65897592	38202880	109637464	65718288	94695056	56561752	91998616	63033120	109236464	41698852	63721416	54164616	46447552	45200372
glycerate	109706472	89592448	99513848	122050872	120739816	83646584	53485756	82016312	40722952	46052832	50642820	91898120	68700168	101086456	102398896	126991896	86847832	114501576	115048224	164680768	115082416	48953004	41342380	107812408	31964974
glycerol	1818598	2672269	2093202	1521001	2618054	2027937	24982326	2701449	3785735	343224	670955	4360563	2364138	2549296	2119483	2866616	2540327	1918897	2270470	2232970	4436970	926192	7574305	1484660	8053635
glycerol 3-phosphate	134606672	144562240	117600056	140823248	150387008	123151552	16838372	47940072	41821640	6864300	5481733	118079672	57671748	83030728	145801520	156501568	57137768	104537848	51871824	106841344	108547728	46116384	41733768	75653632	33994112
glycerophosphoethanolamine	2108637	3263713	3539698	2903232	2190137	2562786	3924602	1520143	2187227	2574046	2116068	3250102	2038641	1238293	1877724	1419160	1448095	1357362	932835	2091785	1257214	1947015	1467892	1363589	1775314
glycerophosphoglycerol	963534	1224337	1639585	1167859	956554	1039539	2191986	792515	1045425	1376035	1216459	1227700	837177	856243	1187481	1101361	848731	974055	876127	1074908	704914	1257016	1356506	869028	1586297
glycerophosphoinositol*	468326	1871703	853591	511733	420603	515835	3590114	665440	723240	1410251	1249070	835320	906854	294382	482016	341967	848661	367230	974433	499058	485850	492802	813412	624549	1571924
glycerophosphorylcholine (GPC)	68006640	90110680	110294528	87872552	67047364	86499200	132329880	66701040	66856312	64345824	64690148	103422272	62735888	56489084	60670756	61175276	62362408	48213252	37624448	85885784	67283216	73169200	69256544	67848328	79311824
glycerophosphoserine*		149761	421353				440078												57403						
glycine	164068304	214827952	227632048	195177712	214148928	165506880	326841024	183445568	157666656	131925376	124342624	150545456	167221600	304563648	343670912	376139264	378124224	340600320	205618576	169793760	153481776	169873664	178522464	168167616	169419952
glycine conjugate of C6H10O2 (2)*		156729	102731		408220	75661	128482	70944	110055	52573	127392	103034	96760	33464	109103	61635	127343		106289	76841	76373	140418	133024		77703
glycine conjugate of C6H10O2 (3)*		74627	74515		232602	50014	41895	46732	43367	38465	72612	66690	65977	29588	113560	41250	82886		61079	30658	63978	69220	73576		22871
glycitein sulfate (2)	77833	112097	48792		67830	34364					42982	57959		21520	59669	26042	63815		169662	53557	53764	132204	36062		
glycocholate																	45254		126072	37834		94256			
glycosyl-N-arachidoyl-sphingosine (d18:1/20:0)*	462590	2074138	874156	1205877	1118972	670204	1445849	568397	2004688	1450527	2123437	839961	347270	592245	563459	1093895	570377	1110292	1099840	823347	466159	997221	964200	420084	865689
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	392069	872817	856488	493162	521093	758923	736398	420830	909038	2163395	2119852	849787	676532	414549	1159338	570628	600533	883480	884542	470607	559326	1086899	789907	608725	1031007
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	1342728	4756054	1983458	2660091	2530139	1812177	3489613	1903180	5245906	14590400	19184252	2904083	1978536	1805677	1687012	2919201	1701379	2818581	7074742	3906581	1857852	10816551	3722483	2274512	4459580
glycosyl-N-tetracosadienoyl-sphingosine (d18:1/24:2)*	436867	3978867	1211666	2215239	1940672	1365654	3735692	631562	3333450	2087406	4262550	1331002	467726	870529	857308	1476115	800643	1518520	1785754	1607306	719357	1945983	1812621	671329	1257611
glycylisoleucine			155111				89964			30986	45891								37394			20059			37573
glycylleucine			1119860	57543		85732	902144	96623	156327	66972	85250	99681				59470		101114	337330	62571	71315	176011	193275	113310	490627
glycylvaline	172302	255415	1403084	172196	161341	406036	1032022	284517	404322	198203	235347	337567	321952	348953	241148	232381	243529	307087	581039	354583	464030	363669	527242	345742	700120
guaiacol sulfate	25075	32874	16550		73851	26984	248331		43693	130701	184530	35288	28345		26973		49526		75786			59469	57134		184506
guanidinoacetate	2233787	4481109	3608483	2161457	4047714	2536943	1936371	787329	1861586	2674343	3398157	2492500	1526230	3282591	7487919	3809685	4759095	3065229	3204876	2513657	1913539	1503342	2325734	1413779	1539898
guanine	405472	729301	767622	160949	2684368	2310130	1169963		2666775	1441855	6622689	683934	1632025	2354408	508014	310634	4970791	287604	1924929	1384361	1762690	3703407	6025217	79993	390272
guanosine	6137983	5031349	6518813	6370535	7619642	8834787	29330884	7502403	21254716	14939581	17332522	8695714	9685728	6087140	4531761	3596017	8175129	4626752	16066620	3987932	4409432	7368617	13728792	3743744	8256102
5'- GMP	5471532	4959386	8422089	5192783	3865670	6066053	2334539	4879419	7220330	12588198	12538949	6937394	7300569	6417103	6414578	7678802	3772690	8804785	4863509	6255599	4910278	9781497	8892319	6857748	7509296
gulonate*	886440	795182	1216870	494405	1126633	606267	1438165	439421	668627	1078488	1536265	992809	836269	1034622	1078221	1247645	566462	771511	1286449	1131504	1147046	1736249	770927	406414	1431752
heme				114699	121614	114789		106204	101629	358048	264985	189088	202994						87900	84431		241729	94448	164891	
heneicosapentaenoate (21:5n3)	282171	126920	159103			95259	528040		132480			78375		171791	238296	269985	266523	423665	375161	351289	105754			65880	57178
heptadecasphingosine (d17:1)	190234	459094	204744		871084	625014	1045723	176801	2086833	1128827	2925261	474667	431271	563795	144354	103148	1438862	298875	1665094	628160	2096769	799056	772849	360633	358789
heptanoate (7:0)	1043253	1514961	660654	497298	519901	850587	384836	486925	1043516	980619	983961	439266	547792	479140	460596	1247119	807918	579958	880878	1063044	662693	737673	406097	737486	557772
hexadecadienoate (16:2n6)	1374330	1058114	1805809	561837	793607	779445	12139100	469828	2333966	558300	840493	1760468	1299618	2150015	2344092	1344796	1576813	2609948	3070172	2277905	1333678	707524	735188	1963885	2867412
hexadecanedioate (C16)		110909	210996	95461	216940	182067	168024		170109	86305	73659	180081	79077		132367	158397		107119	163592	132210	154463	102622	121736	105827	132864
hexadecatrienoate (16:3n3)	83624	108379	87917	61923	104715	71343	239261		73329	123892	193078	80473	42211	153951	215832	92729	173223	182394	260197	165996	98484	40674	66447	67966	102962
hexanoylcarnitine (C6)	3119901	5549710	3169622	3042827	2911769	4324695	952756	1537675	4075321	6071309	6290651	2223896	3418065	3694370	5146901	3661624	3572306	2768132	2568261	6531526	4311971	4137023	5030943	3295019	2796389
hexanoylglycine (C6)	532387	1254394	1479501	85273	4783929	1067296	1340066	1157740	1393572	584553	1073854	1080031	1242143	664597	1996848	760111	1534820	606661	1038559	626967	1046581	1050355	1972796	283104	594017
hippurate	9553025	8520209	5783833	875497	17572140	6820005	2807752	1190913	3915408	2628983	5948939	15446364	4731121	4666934	6187769	3337379	5061186	1676557	13828351	8196355	10531695	14045319	31591388	957587	4030400
histamine	16554863	24998850	17708708	18392272	22572956	30673626	28565656	21842592	29123188	56898760	80842144	25806022	24779812	11900290	14687293	7947677	14743077	15523102	17863872	11819740	15294304	12784928	19254598	10430476	19649460
histidine	13195143	17683990	15929898	11785403	10994162	13498233	76127728	18008600	20729144	9617959	10186533	24943408	18828324	13814463	18682808	16287760	20196390	13541380	36444064	18722970	17092736	20658284	19558816	17189408	21218828
homocitrulline	176249	214676	159110	224583	228766	397348	148117	144974	164951	251770	231443	249312	278218	167840	163268	242764	173610	203329	137615	175433	107439	574928	107480	133008	284787
homostachydrine*	13408063	17558554	8767893	8628523	12470576	19219984	1953851	1331048	2735125	13189387	15467117	9411033	6450553	9398340	11725023	7225366	15427196	14215524	6888418	7551052	7488119	8674204	9540665	4077942	12085527
hydroxy-N6,N6,N6-trimethyllysine*	223131	233121	266236	201347	173777	223399	383295	253991	358277	403174	468733	649625	357101	358009	222377	343518	284663	285121	573338	570619	328069	785908	571407	466574	494756
hydroxyasparagine	33579		156772	87230	89284	161492		69580		96672	49167	124832	171721	103888	120137	156537	67416	137067		108458	168796	287638			458662
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))		686995	595831	402781		690764	693621	837542	1076330	1803834	2223993	946418	679260	768793		796870	2467393	1292635	1903302	1190450	860480	1953183	1492643	1130397	1382440
hyocholate			40107																						
hypotaurine	1489201	5212247	2258571	1427288	1423012	1101839	1567452	717715	808327	753505	582374	1529048	1660327	2624569	9958595	2912043	9392763	3334148	1210363	1331835	1053883	945275	1250948	1403715	1776654
hypoxanthine	2713032	2350915	5808341	3408884	1510262	6622652	138793312	5182928	19517026	12367668	8149515	8080067	6920868	5136233	6349330	2171842	5983583	7580910	51997712	1735578	2850300	6389883	22883870	4882595	40054384
imidazole lactate	856452	810711	975016	767240	955834	1316947	696833	436906	756782	510609	649717	840117	571700	1152945	748209	1428549	841853	954250	588610	588813	583898	794805	490897	435419	1328232
imidazole propionate	2249408	2112966	1759866	1337334	5310547	2975299	696149	239265	1148431	3973398	6545918	1266226	960538	1062824	1823109	1418467	1506770	1293049	1986897	939158	515797	1936149	1384162	164645	1557600
indole-3-carboxylate		27090	29346		94876	64406	39015		72905	56171	107908	33523	53750	36485			100938	35757	34479		37470	55327	33823		
indoleacetate					30002	19484			13510		42431								120826						
indoleacetylglycine	164916	176539	123259		751566	302642	60239		134795	172913	337111	176224	222069	67456	231456	42649	97307	39149	463266	83972	152800	224538	67503		37276
indolelactate	314759	639987	336726	250711	382246	619496	1264694	316732	1026400	1567890	1935811	733282	730492	346651	505458	334286	397417	297822	1204787	427557	504476	1576984	826743	436128	1559563
indolepropionate	88979	49071	40616	66023	77784	64471				55068	96044	50207		61574	34655	18400	99057	54955	36395			31925	70737	26377	
indoxyl glucuronide	67385	174522	50724		119809	81383				70505	173217	40460	19537	17257	305988	21890	99080	31254	69227	46845	39319	16200			30434
inosine	83694912	75658896	71496512	86937168	89068888	76156080	471653504	99232088	232537888	157016432	157366368	92149456	99819808	45988444	53611888	47209548	44841848	50480704	219685200	39105964	39957516	50400784	123674776	46069936	159569808
inosine 5'-monophosphate (IMP)	297451808	296231072	305744704	309290240	284953280	283071904	62556064	360885216	322819392	394423488	369039584	321233056	358727584	306379200	328320448	325697344	326727680	351339552	267580272	334999232	334965760	402376448	382332352	389404768	337103680
inositol 1-phosphate (I1P)	291863	207923	211111	286646	358493	229759	726362	391036	318002	262208	345068	502623	206501	222050	182911		174087	153327	270228	111760	192415	112737	607032	120511	203060
isobutyrylcarnitine (C4)	3453131	4498061	2871929	4268070	1110277	2248054	2679203	2355735	6211285	30229176	31235926	12828996	2875766	3287181	5736122	4112980	4822432	1602276	8792837	14019410	8136038	14052603	6728011	7815290	11043694
isocaproylglycine	88089	166057	184003		485814	105234	600691	121452	567903	96779	172804	176488	147428	62196	298217	121640	157176	86862	189668	148689	144416	198687	515846	46322	475111
isocitric lactone	146137	177959	155550	225639	260767	133062	112569	159591	177119	158595	314420	240413	168010	161183	204560	154959	127926	150050	210535		197262	250379	96125	95844	211115
isoleucine	272949056	274115040	398957600	239295712	181285776	204778688	1728268288	556814784	477727680	460652640	425464000	505082944	328615264	284783232	241288816	255304304	289269120	266102176	1059894656	338424288	302012960	421165728	741225984	563380032	822066304
isoleucylglycine	35675	32360	485549	26891	41879	50592	571928	84457	66577	54413	75902	96959	102673	62978	47294	48299	46265	46577	365888	102667	118639	133165	193478	107771	324622
isoleucylhydroxyproline*			39177				34208				29703		77415			31966						42467			
isovalerylcarnitine (C5)	881766	562081	1020512	939273	501926	477583	4359002	894126	1539771	15074971	16230745	2718575	1206028	966485	637213	959346	676363	611325	5616147	2593947	1917212	6023411	2501982	2947602	4755085
isovalerylglycine	528066	822747	1065672	124830	3543699	854339	5022541	377347	3173541	801094	1647641	983666	626568	342663	596706	500772	665846	304986	1136764	485061	461169	1247248	2332561	159360	2664549
itaconate	2242219	2820308	5194703	3247183	3076426	2825290	2897348	1772036	879900	2616240	4765179	3285581	2520752	1355355	4787504	2164391	3242048	4031811	2730440	4398346	3634998	2712739	762897	3285577	1407580
kynurenate	67531	138489	120704		334824	117983	93046	41917	167593	220622	453104	155909	180762	44211	204773	58806	167809	41191	203496	95259	80155	335137	117125		68871
kynurenine	458252	546911	707657	405759	339883	608091	2158342	883896	1661735	1936788	2001633	1177993	1580612	436691	542415	378888	636235	452788	1763687	645497	915877	1786438	1230032	1372126	2745023
lactate	5888930816	6980618240	6277315584	5306490880	5184331776	6102435840	5769614848	6508449792	5706592256	624589312	524585184	5225693184	5173395456	6622371328	5849830912	6159182336	6862075392	7781339136	3733159936	6918140416	7921861632	4431757824	6586331648	5975361024	5571501056
lanthionine	91140	91821		78991	69220	134210		98474	162023	162043	260233	205841	166397	79404	87190	78849		71599		259289	155661	208855	193595	121931	99314
laurylcarnitine (C12)	3665418	4332532	8551684	7402036	7482762	5379394	1021000	4623963	6166787	11675218	11929777	6255350	8216328	7828168	10269819	5814678	6042001	7645706	6169783	14225064	12630261	7335760	4753449	14873198	2167836
leucine	281242112	287182368	485082624	286196928	221229360	218624768	2506069760	606271040	565493888	701246528	686850944	600825600	391625920	286493920	245992464	290279456	283252064	278263136	1445888128	401414784	350845920	524144608	1050880384	736174400	1087954432
leucylalanine	73944	105972	384937	86193	57480	87244				559528	573397				128351		111044	77800							161887
leucylglutamine*	62642	101634	535433	44800	70272	111591	149392	39845	92248	117479	218030	84282	58934	97369	77062	49203	71179	123741	109342	74487	88447	44525	112449	55947	190882
leucylglycine	233159	293715	893730	225134	206541	273543	459552	244206	170927	172215	308120	290569	234219	250968	193194	153877	224418	282246	196375	161279	261303	196685	314133	198521	1020002
leucylhydroxyproline*											73562											84323			
lignoceroyl sphingomyelin (d18:1/24:0)	3561160	3419121	4310973	2519176	2188183	2855561	1709834	2887494	3567161	8404281	7180039	5339973	3452720	2947754	3454331	4217288	3724293	4030460	6858879	4185494	2204025	5239286	4605668	5382599	4475392
lignoceroylcarnitine (C24)*	58001	130053	60472		73290	98791	300211			153703	204511	57637	81138		57758	75363	70956	71082	161930	57376	90139		86866	103241	307749
linoleate (18:2n6)	341702272	223765344	405961728	57972084	80909152	165875184	1885637888	69082336	534407328	70529648	65316940	148459680	105967552	173905840	526296736	217666016	401263360	565363904	641550656	347178976	182798160	132333144	82907256	181431600	235250688
linolenate (18:3n3 or 3n6)	13099649	9815735	7129128	3167615	4835962	5401228	27486916	1681129	9683684	3140550	4739488	4536696	2727010	10331062	24178252	10676061	18909804	30867168	25458802	14704833	6870163	4261555	4101869	4548057	6019258
linolenoylcarnitine (C18:3)*	3337234	4156241	5727824	3783668	3478860	2764239	303000	1091820	1933050	5038185	5546722	7089727	6153319	12532480	12360608	5494234	6702588	8475249	3988827	10384921	9963596	6126912	1776310	9832425	1386774
linoleoyl ethanolamide	466112	348485	218802	150971	310675	292142	7893108	107307	598099	250097	189981	246943	303012	366759	460407	387669	971937	463582	1454908	607833	297344	415866	282185	112957	122601
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*										117711	136899			121296		171254	118159	90071	226975				123385	82185	195722
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	173792	195510	527143	82591	227268	453192	390944	285198	590967	113020	160660	561337	386724	452675	482554	399691	623973	255663	573828	546827	301806	302887	663661	534670	1479460
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]*	1308580	1728517	2660515	1229015	1569010	2433617	1820421	3500434	5681129	1702454	1678415	9620397	6140438	3908138	2891518	3839492	3277153	2274305	3732081	5776669	4319683	4198728	4970249	5637634	8587378
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	631550	880508	655736	446865	411097	345668	400080		264314	70673	242478	330896	128038	1031511	1313270	783758	1264661	1045626	345635	588011	765395	383031	357200	131683	522709
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	355406	398351	488110	165617	283454	150891	809286	167736	418139	387507	672592	337428	357638	544583	392046	390231	391829	262450	373519	365163	347645	459217	256795	321486	584703
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*	1630366	2145181	2724075	1114589	750711	1142104	2550474	698750	2321302	471029	822979	1900315	1275570	2385838	2217877	1422829	2200783	2193026	1074979	1558904	1850233	1021986	888327	1188173	3123807
linoleoylcarnitine (C18:2)*	41606684	58041160	85365720	37933692	34628756	45258020	13270029	45589952	98492304	68086968	79181344	238819520	217335520	175901536	159924848	71092784	73244848	82800312	54624076	162023712	215470704	129665008	49328824	314912288	29441504
linoleoylcholine*			60323				221309	256970	340537	917856	777275	422074	519705		109905		36832		631843		114585	129280	195174	464853	162094
lysine	361709152	277048160	270444128	226767152	214122928	295291008	1223839232	259571344	444798144	317206848	258823088	420650208	563523648	391712352	383832672	306158464	327888896	391046208	632932672	444214560	674707264	296707296	508421536	375249216	394049536
lyxonate	356175	743673	675638	462858	685749	452672	390293	186408	535899	1320863	2250793		409857	367403			699378	507639	1088606	930006	334528	755367	542296	179651	352558
malate	130693072	111646280	171481888	156013728	125483352	115276144	194662704	134917440	173205392	85479896	55329120	205025312	121524968	171821904	172396672	123934680	179474864	108149776	175446192	134676544	133263352	132893592	208993360	159184960	190343744
maleate	1069224	1585602	1636845	1356540	1502604	1553883	1372698	1062090	1483236	1205980	1381675	1153857	1655076	6591705	1705633	1496085	2181032	1455302	3136731	2008031	1271153	1275278	3249830	1522825	1952794
malonylcarnitine	1490988	1217071	1884682	1240026	1159026	1284742	1264321	1172292	1550376	1542750	1446679	1815598	1211321	1414488	1109529	1549076	1134580	1204630	1354825	1543908	1027989	1720748	1414801	1410035	1427882
maltol sulfate	36326	62786	40188		179865	49500	34781		87362	130899	300376	106021	74971		43154		71086		56913	30193	44992	244823	78268		32616
maltose	5941116	5767987	7092754	9067683	7153983	6668471		6026114	2239079	2349369	3960884	9082462	5545094	2909076	4206381	2213769	3089117	6328619	2421142	2670015	4598887	5684747	2104406	3263583	1811714
maltotetraose	724978	731131	637895	1671325	1291803	403981		443304				804243	339701	206928	361730	156166	387781	666535	104274	153663	507098	230657		307894	120666
maltotriose	3834719	4073509	4193910	6255246	5298394	2751182		1659306	433878	570519	795213	4658368	1653114	1338005	2003238	888934	1822313	4452265	597285	1162178	2612467	1498522	188872	1481473	758180
mannitol/sorbitol	2034087	1569447	2245452	2017296	2303285	2193931	6601282	2924046	3256585	2857277	2719877	3234466	1865781	1645388	1132069	1539600	1426562	1449864	2106129	2160173	1831144	2068214	2249659	2098455	4439386
mannonate*	564718	762624	563922	618659	706896	515061	538798	622852	661402	1423972	1297290	753991	807588	409261	546296	557174	593136	560076	602778	642848	440149	512508	579735	545338	496833
mannose	479272	501532		205493	283194	742188		673130				585357		693644		521741	370126	493218		410684	1069820		886503		
mannose 6-phosphate	4890374	5562767	1693284	3632863	3174225	2065219	231610	3059129	429777			1718110	342964	6118264	3941650	5296557	8230219	3950537	2268590	4444974	8583412	460755	2674564	971129	440381
margarate (17:0)	17451064	16811700	16591114	11369798	15334702	17170516	46791012	18288164	22811300	15791960	11187284	15464998	14372472	16969408	17859956	20630124	18578954	27042648	36241152	22653948	13945801	14518451	11278424	15984735	12815666
margaroylcarnitine (C17)*	1309949	2472198	2382186	1464781	2767678	2308281	1436511	1654045	4165082	5365713	6775402	5542117	7689033	3394944	5149951	1599349	4240960	2833429	2643155	4615579	5823220	4541237	6441177	8751416	1778584
mead acid (20:3n9)	1177371	1124109	1594596	320502	258666	991635	5318971	553749	1461134	472158	224192	393615	406738	550024	964539	830810	1393859	1451527	2139890	852607	960811	428025	453316	556416	888401
mesaconate (methylfumarate)	1781147	1695575	2246280	1885195	2190169	1121627		791457	324967			1426688	1059416	903121	754474	1349041	1881499	2050158	1532168	2778188	1792943	923183		1424162	317452
methionine	214096640	241167200	284566592	216806784	165257008	167779536	1248745088	190253824	212722352	204853216	218631216	268111696	234199840	226702240	212716032	252411184	263356208	198075168	643217728	211316128	233588784	366014912	261271584	230496304	385765472
methionine sulfone	370321	329499	231118	336827	364074	651601		89912	135091	630171	568286	836900	361086	508067	533701	463843	447781	350174	445115	717188	704888	1216185	379852	399052	597014
methionine sulfoxide	6611989	4742205	4813734	5580917	6304209	5645975	6682671	788092	2412910	4022151	6228963	3085208	2211946	6395180	4479781	6929538	6983178	5535936	4809497	4542026	3813476	5353217	2493345	1613004	3373089
methyl glucopyranoside (alpha + beta)	7639562	10065348	6806581	8496390	9645618	7086780	4487456	4282266	4143184	4456226	4381767	6200521	6980242	5753665	8356646	7295187	8688256	8176131	5072725	5827425	4000596	4582722	4647649	3887949	4188696
methylmalonate (MMA)	4966547	4994406	5293554	2902541	3388842	7480910	16439143	17616134	20430244	2694280	3403101	9978320	6526123	5135567	3623599	8507314	19519892	2785013	7488884	5567187	5316340	4541746	18497270	4279425	13994494
methylphosphate	16384178	13401741	12878664	14560653	16106800	12227906	5346314	13528092	12842432	7751517	7573002	13706301	13945926	8612024	10179610	11757792	7571630	8126390	5607474	9047311	8543560	6302300	6439216	7715679	6122127
methylsuccinate	1555788	2946389	2165842	1034362	2793060	2669139	3228785	699927	1536076	3289536	6061524	2077248	2090778	556027	2343762	1442877	2615517	1203577	2752761	2415910	2268172	3101563	2449272	635834	2006247
myo-inositol	9271444	10842510	11313531	9610919	6816888	12900170	35452400	14279817	20399152	29402528	30616980	20946044	16094643	14515922	16446606	13842514	14735190	14039111	26460306	20717584	17496344	31822008	31460262	22606476	34682696
myristate (14:0)	37362936	28111190	31141462	22159740	27044376	25688394	55429916	28447668	37329880	21601528	23024090	26564920	23697248	32751516	42640920	39603636	45324856	64189028	59491312	41000748	25008956	20480820	23426188	30107418	24158900
myristoleate (14:1n5)	2671615	2028134	3664507	1848885	1866903	2109696	6569315	1533374	7428855	2005085	2417157	2044752	3023840	2159007	3008447	3208764	5052464	3767976	3689789	4634395	2884184	1425609	2518685	3392401	2825646
myristoleoylcarnitine (C14:1)*	6783766	6902705	19766480	11765038	13520058	10739849	2498112	11033284	21094476	11716060	13095007	15187491	20175222	13188894	15646284	9040075	11868834	12585354	8407430	23318458	24380148	12519695	8937585	27439320	5525539
myristoylcarnitine (C14)	11689007	14758314	28642520	23230884	18998366	16488541	3497378	9319244	17142900	35483848	37126620	35030796	36414360	29955972	52043788	19197308	25562646	32308684	17448368	43810332	59709972	24186690	15160773	65545552	8419916
N('1)-acetylspermidine		46253	158992	60354		86424	484932		146960	144036	317736	52509	63737		64999				164400	38611	89269	108799	298200	71088	388830
N,N,N-trimethyl-5-aminovalerate	167565264	175986240	127290872	171638160	189456720	151669536	164085552	123303472	125523944	105082824	111119712	133916816	110733216	201298336	205322384	153514368	149311232	148484832	150417984	159858896	248952832	170425216	153896592	195478240	195681408
N,N,N-trimethyl-alanylproline betaine (TMAP)	316663008	275798688	341165856	302904256	284065824	300827360	332970496	402316416	478603040	647149696	649969024	607655744	402020768	289831872	244965888	320342656	251598496	270970528	593628800	527652192	362316544	898167232	494347712	500685952	581279936
N,N-dimethyl-pro-pro	10034895	8966999	12534403	10062067	8993413	10096271	10473112	11693270	13681386	16186291	15946130	16217432	12145417	10625390	9973709	12370914	10915791	9524154	15701338	17291854	11683278	20215000	15620524	13965826	15315081
N,N-dimethylalanine	9255143	3945075	24238950	13384189	10413884	9675798	14755794	4389390	5427719	6178928	7049911	9049560	3930291	4221445	4201479	9845236	2457311	5198649	3662837	3469181	6654608	8836412	3166968	4814393	5594668
N-(2-furoyl)glycine	62086	125649	92931		584902	131178	41754		126287	139653	348790	145274	127764	28336	49572	35548	118848	24157	106878	66088	27960	201995	75519		49198
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH))					176179				251889	145922	610494		123004				166350	85412	243481		194943		105010		
N-acetyl-1-methylhistidine*	102932	119976	100613		312118	221668	125322	96684	87542	429571	799914	174727	141527	61836	108737	54252	43732	29438	279405	109146	215694	301718			278196
N-acetyl-2-aminoadipate	90583		196777		154228	200471	404710			430105	794564				181934				557481	165991	150591	167804			339009
N-acetyl-2-aminooctanoate*	88043	89928	65764	56519	90387	80139			108161	226230	223520	160481	120652	90783	58918	51266	39820	104949	71123	70897	51303	135452	219474	85388	130618
N-acetyl-3-methylhistidine*										21644	34698											24954			22289
N-acetyl-aspartyl-glutamate (NAAG)	5090032	10124476	6644186	10985327	9070677	7560308	14063877	11181386	20482544	26669856	28924160	12985444	13977028	7393110	7139476	9377392	5444156	7532579	20669518	24317680	14821684	26027330	21344738	16621054	19044816
N-acetyl-beta-alanine	353427	225399	291956	229961	322415	296982	409622		302180	632757	736231	358068	298729	451832	258951	516564	408212	477379	353972	288825	210559	526438	349733	272461	968012
N-acetyl-glucosamine 1-phosphate											43048														
N-acetylalanine	2882240	3316930	4781698	3344695	3149732	3335710	19598160	2904702	2948372	5195327	5907015	3872287	2885707	2793503	2657930	2817858	3156906	2526995	6863795	3523369	3128329	4194426	3444673	2692763	5292163
N-acetylarginine	627355	593100	576180	493206	741704	674572	495579	579341	736007	948598	1134861	1108244	712170	439578	609939	531574	479232	500869	767444	829690	676871	1049404	872189	719538	808675
N-acetylasparagine	154081	219208	203136	86281	324801	197929	289177		211380	232837	274008	263836	147106	136803	250751	126367	234793	105591	354112	181445	176000	268380	216886	95187	261059
N-acetylaspartate (NAA)	17398152	37891492	33720612	42938616	32294292	22248568	24847344	18545846	27474474	33135592	50122668	27611820	17568052	20552184	28939130	30797940	18718732	22320352	24103746	29887740	23686892	27435946	27098334	23719608	22859216
N-acetylcarnosine	1095475	764376	880752	839382	1036817	773887	652824	1845866	1049344	1064937	1177493	1337087	987869	575993	236597	443693	474601	603960	605554	559887	394235	518587	460590	533093	373469
N-acetylcitrulline					165668	224952				1045910	1776667	331303			242260				598720			677376			318145
N-acetylcysteine	79097	53914	110177		156276	95894	103991		180755	102081	171981	118392	93313					41223	176323	91484	51662	162579	82001	56985	175397
N-acetylglucosamine 6-phosphate			79574			125625	430309	94122	193518	220382	183188	121591		95606	116206	90754	162935	137056	353756			141824	218835		564248
N-acetylglucosamine/N-acetylgalactosamine	70350		790705	31440			2475665				242313						174778	70374	711665	129105					539060
N-acetylglucosaminylasparagine	278426	215184	271700	183967	236445	260244	84015	232738	348288	294866	313846	281542	335612	229605	317639	293585	315615	263500	202245	441948	368661	393683	319619	347915	293705
N-acetylglutamate	758393	1515834	1140921	1051241	1213421	1025362	1579967	542959	1097425	1220414	1842355	1305816	689798	607285	1219797	989214	702828	847537	1117439	1104321	624459	1786708	880675	667703	1013024
N-acetylglutamine	1389431	1776778	2124392	876997	2611955	1635936	1976999	1564108	1454839	1198756	1797455	1961252	1361309	1147510	2390758	1226943	1286788	1063943	2424324	1505119	1804127	1777023	1591250	848692	1772746
N-acetylglycine	1088034	794955	1171402	1308608	1262090	1279486	3533750	3796269	2846927	1527208	2140478	1224792	1917473	1269665	1529919	1349058	1114516	1390337	1278874	1453619	1066361	1438455	1339723	2084538	1831476
N-acetylhistamine					74472	18881	24498		27379	56231	97313								43394			50379	29651		29667
N-acetylhistidine	82833	99298	193598		294435	228212	296681	122519	268834	179056	435713	467205	152122		159527				353960	162411		432969	167551		430498
N-acetylisoleucine	122827	174501	121073	77887	173930	114117	214822	108015	149534	275225	327057	154483	163056	79080	106361	74553	98142	87857	138101	105594	114397	158665	214071	104679	253705
N-acetylleucine	170234	238206	202823	133296	312599	179219	479194	193866	465719	884946	1072018	487540	213654	202456	127939	142978	204454	144372	314570	180032	123268	266262	750089	257547	698352
N-acetylmethionine	1007921	963915	1553292	975708	1132599	1593406	5794233	1167572	2144352	1110255	1398354	1456587	1446842	976000	747920	915013	818333	1036995	3327595	1064402	984238	1355026	1446741	927912	4152490
N-acetylmethionine sulfoxide	28511	80753	86105		476163	134905	172019		145026	79442	213827	39372	89059	84368	40512		161025		136443	49146	82833	161880	209238		79880
N-acetylneuraminate	99384	259880	344697	156668	201250	219552	1982428	200166	366219	247920	318948	298428	263661	197405	338480	279321	202697	298400	662107	467991	370170	607620	504049	341896	664450
N-acetylphenylalanine	188515	292271	252392	173337	225326	236020	566144	369827	1116404	901635	1090543	941528	687503	157991	270606	178953	332941	157681	611042	223531	181938	1059055	1118538	513214	1053343
N-acetylputrescine	164301	123794	209431	59320	483938	247915	197705	90340	319042	360825	660317	182425	181102	120175	106648	60721	134752	48751	514849	360385	185768	870918	307559	73812	221978
N-acetylpyrraline	74499	104416	55772		231435	129289	26872		47044	206944	666753	97250	55780	20919	64069	27654	56078		144297	61513	18563	141597	22800		29664
N-acetylserine	6302593	6724132	8241909	7934957	8065548	4809258	31479650	14735606	14666150	14541789	16301079	11471165	13557983	5826660	5275769	5416990	6160272	5677306	13250515	8684357	8249824	12006333	12885143	10213306	11694597
N-acetyltaurine	2564246	2526074	1991118	2040485	2697941	2598132	3005463	1700467	1599611	5020539	4924003	2450959	2028064	1956423	2577619	2484628	2635342	1765145	3555562	2090326	2401764	2696866	1374956	2266638	2506953
N-acetylthreonine	2800819	3158354	2694864	2572931	3548511	3162762	5555502	3286667	3124883	5709268	3896031	3907771	2624002	3242254	2722192	2679286	3470425	3176639	3023093	4471844	2005635	4417207	2546770	3578058	2597802
N-acetyltryptophan	58099	77427		32377		51729	52352	25188	61437	134878	195661	72767	51772		38071	31340	53280	40873	82608	50673	47401	106867	81280	65502	102401
N-acetyltyrosine	42602	80656	64578	47190	32311	39276	137738	30691	120829	319848	376615	86538	109617	48478	84328	47229	92747	62741	109201	33122	33642	87962	106963	69875	127524
N-acetylvaline	46098	54339	95674	62385	72841	53837	206801		70556	116381	163809	68624	61055	37796		65856	56493	46800	106182	55158		66496	60356		93796
N-arachidonoyltaurine										212208	73613								167935	63175					
N-carbamoylaspartate					67728	57595				151339	228878				73880		128170	86845	86016			70652			
N-carboxymethylalanine	747859	457420	338982	590393	401140	1277110	1028590	228233	105234	400793	797832	521219	166212	336959	614209	665054	531405	709949	614852	255236	582475	954505	668197	313606	867313
N-delta-acetylornithine	1081127	952745	937263	1028393	1413087	1216169	172259	96347	244628	796044	531531	1073062	531971	1628168	1420389	1598077	1562622	1610093	703282	1204571	661531	1648992	605222	928715	669297
N-formylanthranilic acid		93960	42500		187047	60746	55128		72143	154008	238829	75509	87332	52088	81032	24271	177748	55648	68337	63069		81544	58554	39716	37741
N-formylmethionine	670457	678784	1015654	679230	786180	679572	288237	640054	897880	771078	927658	823153	521404	621303	535395	784100	549494	504602	466117	597277	392033	504842	656111	399263	422321
N-formylphenylalanine	27687	19689	45880		29712	20427	52732		34968		38876	25075		27632		28248	28350		42154	22176		19473	31759	19654	
N-glycolylneuraminate	397390	520026	476762	443519	268454	1147859	3721715	986779	1092852	1240702	1374175	2184230	1237895	717326	674868	764547	565309	856494	2230282	1830431	1764839	2876611	2729389	2149078	3275884
N-linoleoyltaurine*	482246	240314	353248	185071	185779	336817	618241	256966	632732	381241	209231	433347	351965	203546	358352	427105	313123	390935	659879	572102	230898	238122		298345	158091
N-methyl-GABA	3954912	3448262	4080498	3588580	3967323	4026123	1463693	1804549	1812416	4607688	5264532	4406674	1668313	3779264	5346808	4530507	4643039	4908230	4218649	3166181	3289368	3203586	3689635	1750040	2558481
N-methylalanine	1777808	1791761	1873721	2179790	1749428	1116748				750376	740434	1147960		3050690	2716677	2645479	1754207	2344648		920303	936715	1328796	534557	229438	828064
N-methylproline	3474220	2030764	2807154	2381282	2420658	2472641	708565	761747	541153	1432388	1664024	1303293	896199	2550185	3140628	2335235	1668209	3071593	1070472	1423532	1605332	2354885	1039918	1045106	1272996
N-monomethylarginine	1211461	1147312	1570527	1476886	907434	1869447	9823593	313812	885388	664368	509309	1870011	1628954	2774303	2488364	2544919	3043629	3016849	5592095	2908318	3920398	840764	1980933	1228194	1732681
N-oleoyltaurine	744167	471430	538995	296818	299431	495754	954726	804476	1584175	727579	312366	703507	882638	275144	438558	370545	436208	434326	722207	575289	353332	305028	173125	698893	282138
N-palmitoyl-sphingadienine (d18:2/16:0)*	244495	239691	1255907	216488	198270	322214	3103450	276113	299832	406728	500404	473795	353303	254018	238105	186176	224722	576877	906545	197480	387188	387090	369490	370424	631921
N-palmitoyl-sphinganine (d18:0/16:0)	232050	142985	306461		338919	363523	654450		384731	398802	745532	201776	324302	240004	135975		825381	156202	684817	210170	282375	562242	669953	120632	288084
N-palmitoyl-sphingosine (d18:1/16:0)	3982177	3091166	7538653	2349236	2133155	4803091	11460295	5314437	4757641	4864657	4596193	5753862	6696866	3134930	3797892	3028809	4909249	6534356	6213900	2616895	4070704	4478899	3922536	5692215	6056284
N-palmitoylglycine				40460	73379				84018	35001	39666		45800		63834	81481	82899	90633	93092			38529			
N-palmitoyltaurine	1464971	789229	987421	709476	859809	813603	1027040	721462	1241573	1688853	728916	863318	765201	659519	945139	1017873	887365	1060702	1366848	1278070	564573	555352	210017	541570	271887
N-stearoyl-sphinganine (d18:0/18:0)*	408495	128940	407535		1447405	629859	172691	72326	1201199	1270564	2444827	368587	808254	826202	220252	110143	2869302	150422	1293867	635773	559031	1657004	2188822	150190	297884
N-stearoyl-sphingosine (d18:1/18:0)*	62767892	33147814	37465144	28102560	32600604	36530004	36380500	101923840	66478048	75974792	65243612	99702672	126162208	34549224	26604454	35839400	38242888	34429108	72448496	45598208	53665840	68919488	66434076	96279472	67301712
N-stearoyltaurine	1263213	612703	978105	684996	659051	748273	698711	809006	1313478	1300202	513887	1119822	920364	513416	726669	818130	692433	811419	1499882	1293077	634414	740727	259615	558371	330149
N1-Methyl-2-pyridone-5-carboxamide	1799109	1533947	1258343	1171812	4519881	4403405	1919069	1469319	3831538	9742265	12062540	4747924	1948748	1802712	1101396	1706613	1148695	1267632	3524014	3148353	2911124	6123481	4474677	2256225	5476024
N1-Methyl-4-pyridone-3-carboxamide	9547778	7234114	7245618	4858296	17537324	13018846	11201025	8905894	17238930	42740072	43541992	19147756	12103185	7770899	4755918	6230908	5493933	5845019	17641100	9809249	12603835	31054722	24625528	12883245	38057152
1-methyladenosine	44742	38891	77493	37651	77794	92860	200261	73062	136211	102687	120636	122252	61213	52649	32721	59173	40843	50890	242755	99751	107229	234554	113844	79625	234864
N1-methylinosine	29973	29726	75100		97892	127444	218167	66910	139338	190152	217138	140282	68479		37715		47095		252978	80737	119796	514886	165482	50433	529711
N2,N2-dimethylguanosine			61249				333413				67118								129628				47301		39130
N2,N5-diacetylornithine	69173	86748	133843		121224	97227	1231395	48762	80743	241532	410404	123536	93553	49020	84529		62030	52393	721887	71184	101130	247949	76745	52100	234930
N2-acetyllysine						42720					81139	108719								62928		92655			
N4-acetylcytidine					19644	23157	36995		16382	29913	38083	34144	18976						63551	17346	30675	90004	22346		143455
N6,N6,N6-trimethyllysine	44672680	36849332	38339032	35496232	38322004	43342952	129253184	117888600	157281424	61180808	57770956	118537144	147019872	42988008	41080856	36771436	38243516	45760892	136086432	148625600	97168736	130745280	192931168	129993808	131595128
N6,N6-dimethyllysine			3459828			4133434		1871556	3187752	2153416	2210208	4056813	4217599	4302817	3838510	4137521	3233452	4053052		3210435	2225666	4046396	4002714	3397330	5398725
N6-acetyllysine	144679	140368	151951	110848	96190	148073	267757	96275	106388	148779	153054	142301	168937	158053	219298	160246	188391	135292	146040	171009	234524	213256	168534	180470	192266
N6-carbamoylthreonyladenosine							44685				40585	18413							29657			43904	18795		33144
N6-carboxymethyllysine	11091128	9932532	13531220	10815555	11531784	9433804	11887020	12818472	11896105	13868303	12471891	17929556	10695830	5584776	6523833	6447544	4281500	5849731	7305488	6131118	7826832	9066337	4558528	8557186	8242738
N6-methyllysine	6745296	6930217	6200735	5977819	6540542	9758251	5051206	3296049	5491693	10663686	9176210	13126316	9481653	12222101	13006159	12486916	10572689	12370773	9669719	12378153	17521508	11836669	12051444	10284966	10331761
N6-succinyladenosine	31592	76509	124992	55024	27323		166382	172257	219791	151850	113076	86323	149671	43110	156671	31588	104597	34942	96609	80066	83772	64694	406416	102942	498047
NADHX*	254025	545687	265948	362351	403972	239145	16589523	147421	116867			62887	23341	331899	570883	431226	710143	499268	4129764	369625	692480	19968	249703	134583	12761268
nervonoylcarnitine (C24:1)*		255823	102674			164520	13076412		300613	286704	303824	126974	302682		107804			57966	272415		80178	85953	589477	236101	5641628
nicotinamide	244865872	221230688	322269632	218822400	208214384	226991120	83047808	181014976	259864384	234377536	254858544	288006144	221983392	286134944	247597104	261391312	203963088	249606160	248652624	312651008	191987664	282790464	220251600	232036640	170343152
NAD+	40290044	46179456	35780788	35836372	37066856	31501732	1450371	46578800	39074816	33936268	28279354	19819584	34004124	46760912	41782772	57243960	51054060	41627208	30979724	43261196	21779466	36321056	43180600	33693320	18319160
NADH	3895357	4196077	1058759	5682925	9279358	1378492	105902	1322320	83785	177125	165485	697189	438839	2685079	3940092	2895323	5488361	2050194	649833	1938092	2516561	226756	216482	709201	201359
nicotinamide N-oxide	2228693	864155	1637407	1533599	3989873	2508597	408953	983680	785213	1235858	1364321	1309837	838622	1779725	391046	1952878	676059	1629647	711366	673671	907223	1133595	810857	607868	526117
nicotinamide ribonucleotide (NMN)	456250	476744	619589	561847	572041	392919	369683	423608	374858	445775	402245	361688	357874	529738	552527	591446	533363	551690	2371961	443807	323198	353901	379346	410046	726027
nicotinamide riboside		140077	248729	71202	48467	87419	14732290	43417	315631	178089	135494	184487		111006	117297	119735		108298	27243506	198913		54880	326553	110628	5719879
nicotinate	544532		3766560		1162050				534864	2226211	3552624										373146				
nisinate (24:6n3)	893573	418067	1045499	72789	92216	506349	2725112	155823	908713	145984		363286	320004	346642	838665	532545	858959	904317	2311399	784353	500979	208175	121249	370000	499626
nonadecanoate (19:0)	3443414	2842293	2965122	1995018	2627791	3399832	8143980	3345103	5141888	3380213	2275845	2871851	2688029	3712761	3312324	3445279	4012554	5151809	8197674	4743060	2690229	3237195	2286688	2939061	2401821
O-methyltyrosine	384038	294239	413812	337273	304166	310856	137557	288974	291982	293982	240614	295122	325934	335092	414674	402366	410087	320045	208613	455214	329373	330277	236045	323690	195202
O-sulfo-L-tyrosine			26706				129416			125869	203890	36385			30765				88287		32963	86987			126811
octadecenedioate (C18:1-DC)			76937				54236																		
octanoylcarnitine (C8)	2876259	4012884	5000651	4517680	4160317	4185475	654280	2104167	4267713	4999232	5897690	3235809	4341079	4198759	6370053	4830114	3645837	4154933	2791727	8329332	6371546	4861578	3798981	4647999	1692527
oleate/vaccenate (18:1)	370632928	295186112	635824576	92212240	100586552	238545952	3265636096	183960288	745850624	86935176	66652524	178781856	154621584	247259040	562918720	159982352	415491008	431927200	418640928	231591168	247030528	144047168	93165032	178361728	242933936
oleoyl ethanolamide	2441968	4311629	2383130	1358218	10370479	4838517	26539892	1584199	8530060	4210146	13729262	3012841	5838465	9435571	3675572	1413831	17814584	2480860	8937767	6089060	7205733	15885368	22381438	1655180	2244206
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*					88573					323957	426926			143276		262642	97262		135141						
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	831304	626681	1402658	879375	1369799	1804440	384573	1277354	1446123	1159375	880388	1603889	1552526	1983045	902133	2843570	1913482	1441869	1662259	1641204	1332531	787608	1823833	1133076	1851153
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*	237501	386545				125741			204498					342783	324887	205617		289599			140270				286452
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	184613	188122	298920	83309	124160	124233	768032	108880	402338	284407	424087	206744	267861	241532	215856	129222	208195	117590	106855	133867	127716	147651		203430	258627
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	2672838	3382358	5001691	1780012	1776253	2529070	6762384	2420822	5292280	926269	1772015	3017732	2921429	3338476	3025790	2164841	3229684	2455520	1652801	1875887	3004214	1905068	1626951	2550608	3715274
oleoylcarnitine (C18:1)	64383044	95527624	130070672	68664904	64279820	89038896	27851794	147077824	261928400	79968512	100612336	322453952	361133248	174411808	209670192	89070640	90338736	130180184	68581328	187528496	288649344	114678608	95553968	499763680	53992088
oleoylcholine							353146	558079	691748	677448	437613	504378	703856		88497				223835		114948	126463	362913	502855	253063
ophthalmate	136295		128562		96074			224965					409383	256394	99296	105132	82880	166746			61465				88730
ornithine	31556816	34085564	51984092	22877952	22353048	22114896	44800024	8726137	19516914	18356154	25871388	27804542	26967668	40871236	39087864	38811160	52170316	47578836	41680352	28876388	26516448	29038456	33117038	22597454	39212724
orotate	1567320	2222553	2264892	965050	4058070	2579378	9633365	1425319	2626927	4657244	7528475	2648360	1993229	1454863	2496597	1207917	2688332	2964639	6340901	2897187	3087440	4297780	2347084	966587	3630530
orotidine	159253	196447	176661	206165	284361	212284	224550	181825	170136	248053	319789	108994	105027	306025	406589	315935	323899	368455	223371	196119	132130	238874	93399	127003	214083
oxalate (ethanedioate)	746913	658581	728550	611976	801129	386138	252113	354260	203137	1722615	2021317	445258	435845	377075	395644	516058	557584	363194	943977	146308	355483	563647	220993	412665	336953
oxindolylalanine	126683	154992		84804	63356	103660	1027682	103785	175415	249188	205200	187604	122157	114095	92441	110242	215579	67054	583967	76694	212461	171691	203302	151414	322101
p-cresol glucuronide*	145172	207350	206468		236194	389591	354190	302607	149987	125630	184527	270903	259779				39164		141616	64627	13697	206274		28450	
p-cresol sulfate	984042	2037037	2035190	355161	7921532	4005802	5400484	3136327	3689019	2679582	3450574	3477226	4474953	294632	278439	276446	944062	269835	860430	437326	251847	2655453	361031	533420	503419
palmitate (16:0)	1383904000	1214144512	1335951360	965312704	1093543680	1224968704	2924608000	1244830080	1359022080	1105062528	786780224	1107869824	1106385792	1283674368	1619067648	1331840896	1409454336	2009150208	2038803840	1405823872	1138762240	1013216000	808264768	1046937088	975254080
palmitoleate (16:1n7)	32569700	23046854	36068812	12601036	13097200	15370802	222654416	12383376	40104272	8316919	7713200	16083941	14070513	30086756	49156968	19783276	47713984	68273024	39806868	20306416	23176322	9176013	12327500	19135814	22059484
palmitoleoyl ethanolamide*	104254	305064		131392	457825	198125	6443590		265087	153184	638020	146727	207775		161074	86558	896086	117102	608871	362279	378763	819223	1252436		
palmitoleoylcarnitine (C16:1)*	16212593	21679688	35884028	21628526	20469344	22237908	4266077	26570506	45306264	19272974	22827900	62928984	74640288	43436444	54305164	19261536	22858646	41019428	16963724	44899176	76415000	22451314	18029644	108407960	9215149
palmitoloelycholine								179742	269857	169982	166675	106515	259201										96531	174527	
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	4622131	6048713	6595189	4158898	3430316	6118901	4769694	4010122	5131756	9998073	10054033	6600138	5950445	4083321	5810379	5256169	5551336	5817015	6867737	5201179	4862716	8192114	5423537	4921650	6357599
palmitoyl ethanolamide	3766939	7059682	3677610	2092302	18957512	7859989	78695792	1850641	14214926	7577804	23975344	4333020	10207151	14316930	4614685	2109949	26696342	3168905	15358498	7864566	9811318	22082656	31232528	1676471	3656005
palmitoyl sphingomyelin (d18:1/16:0)	62292860	84127088	90532832	70084328	50615132	93026432	68957328	65155736	79764792	126346336	125943616	95251200	65370768	67706496	81375152	72994728	91324632	81836520	96946344	78230184	72369952	96231704	89145216	71911008	89025736
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*										139397	101118														
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*	133506		249784		261364	478614		201945	370406	285715	282160	272460	249370	374843	120284	534461	543021	243151	824853	470008	261645	309418	1150853	240953	1209476
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]*	585324	478547	809054	555801	884197	829568	327184	380015	910378	3981711	2751551	1114709	1100310	1265160	686009	1737449	1449401	573374	2539918	1096134	674658	1083239	1392109	799918	1699528
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [2]*	1883875	1764106	2706039	2029156	2686069	3272572	952808	1713404	3482788	2939002	1667400	3995360	2991924	3918335	2392532	6298997	5911120	3780407	4127955	4068310	3129062	1707789	5207451	2537661	5262843
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	673170	753462	988008	451627	532035	673938	899147	453012	851520	216528	263352	805506	664755	1325869	1391205	949791	1235959	1160953	684709	781945	1042850	533906	619779	693735	1520768
palmitoylcarnitine (C16)	48231456	65298192	110146616	82705192	59915816	64328372	20258344	43993428	93485064	230096192	261854480	234787056	240796848	142038432	280688512	90329688	101254208	191905856	82850464	186024096	263245200	110042056	78158400	399470848	40287148
palmitoylcholine							78047		111269	520018	385459		100573						449035			93163	129453		
pantetheine	160334	129581	184316	147600	136428	220565	48801	110426	315269	59228	66434	214399	151577	162139	138426	267975	110409	242372	224341	291638	162117	151409	100103	196660	157520
pantoate		229284	207819		527620	254178	107149			493296	570470	204370	164365	115643	146478	174774	143695		350770			339564	155394		414009
pantothenate (Vitamin B5)	29165686	30636980	33950688	25478718	32347292	36232080	75731392	21157624	25331236	9699531	10164527	29688634	15976531	26405748	32518654	31192806	22979556	28262802	29720856	11113088	22855308	19940958	13070585	22440252	34543928
pentadecanoate (15:0)	13970462	11724886	16169087	8584891	10808699	11060116	27101980	10576864	15660783	10051075	8680937	11410732	10965646	12615696	13654685	13009715	14567588	19368166	22675156	14632671	10234912	10927755	8196080	10606670	10350504
pentadecanoylcarnitine (C15)*	934141	1521307	1894763	1378010	1415449	1307437	556152	910035	1983415	3743912	4135645	3835365	4183912	2941335	4009941	1176165	2566672	2674985	1465130	2841945	4076251	2557069	2673185	5553039	854258
perfluorooctanesulfonate (PFOS)	206079	58129	94806	71680	60244	224737	255825	141234	314363	248029	141184	228844	101183		70298	58888	78386	51284	159550	111150		84366		69947	52832
phenol glucuronide	106816	60896	143962	36253	191481	269065	25104			118900	246755	85231	27647	34055	316994	61504	26149		129235	30608	104225	112749			
phenol sulfate	8609928	6492017	9465716	4459956	25257722	18109570	10533986	3342434	7223376	20691066	24109724	9114899	6786639	3348038	12446990	3530680	5371250	2021902	15194321	2744226	7034692	15552376	6393211	3663057	10312784
phenylacetylglycine	2468130	4060639	2749396	484528	19218214	8059732	3364489	1396910	2807100	4269649	8016665	4048035	2688205	1185632	3843633	861184	2551746	833951	8381591	3080500	2167761	4463592	1737929	685149	1444946
phenylalanine	203789984	307138368	321448032	200142144	179701792	210541264	1344746752	314527904	439100352	319472192	345286400	381365312	423460544	198952016	264854784	210140368	320805760	183914800	776019328	247594848	269339776	432257568	463052704	342280672	499206784
phenylalanylalanine	23412	33297	96222	41501	32834		58555	29057	37524	23425	75700	48250	32558	31043	26029		46085	50188	61244	41951	45673	25890	64800	29119	89479
phenylalanylglycine			463643		47974		237909							67995	109020	88324	67357	69838	131691	121551	129469	211500	219683	70185	257032
phenyllactate (PLA)	100738	177431	113072	72013	400087	172260	418375	94932	285974	414323	616948	159289	171007	73287	116749	80085	145643	89420	300893	113653	87631	492229	215836	85353	347816
phenylpyruvate						65508	84537								119829				320727			163870			
phosphate	1112376064	1108069376	1180351360	1077274368	1123273344	1246215168	1391164544	1101438848	1080323712	1060922368	1120444032	1034585216	1086693504	1213470080	1139300608	1172673024	1134585856	1167335552	1097600640	1180992000	1257621376	1097550592	1020051968	1071511360	1137580288
phosphoenolpyruvate (PEP)	2454622	3853666	2085503	7365478	7851685	2344941	132963	729636				1244139	103398	2021890	3181565	2067832	4333555	515731	361138	350496	4484564	33333	28929	195525	
phosphoethanolamine (PE)	1208120	1538767	1963991	1252720	1131558	1463709	1536313	1015935	1035789	2417634	2924428	1329532	1378173	1113709	3614227	1532141	1625352	1436806	2253347	1532585	1287344	1827502	991576	1191411	1357261
phosphopantetheine	1288686	1000871	1705304	1126813	1088733	1443343	352675	829577	1749292	566453	449096	1661074	1451452	1482305	1385166	2508328	1007455	1688717	1175224	1815814	1264802	1393256	1642424	1541903	1916572
phytosphingosine	102513	115810	295324	66568	70861	100562	169440	97415	157809	302819	342676	171228	132928		71019	92107	84086	80282	198492	106292	108967	219800	216613	121956	227989
picolinate					197934				388012	1055213	1731114	273870	315247						899674			456101	435819		776267
pipecolate	22676416	19072462	22952660	25788482	30096002	31723964	13251560	9177423	15499872	29254316	31125742	23142984	17942238	25213384	15713915	23694136	18658444	25975042	16079951	14203383	14564810	56116836	10632567	9520473	27104512
prolylhydroxyproline						116732					400057	77675		74680	226172				123567			652186			
proline	574956928	680688768	738931904	648394304	605393088	586429440	4056683520	1252964608	1210882560	980422528	967644736	1146754816	1310457472	831227648	863985344	805534656	996987584	734111232	1887209728	818160768	899339776	1262016256	1340226688	1121134848	1367491840
prolylglycine	567916	585763	985016	612884	545362	551875	22212728	485081	591974	600769	558241	702437	574578	564589	543973	620416	662743	623854	8922766	841365	621345	867014	691593	638724	1628473
propionylcarnitine (C3)	7649404	11997955	10461931	7354895	4978697	11884472	3814675	14642211	11527955	23492976	14636705	8824705	11470034	12182142	19772972	19534004	17138096	12168166	8621566	11627656	7733070	13230721	15988915	6905456	14483974
prostaglandin E2						91326			25977	18140				68489				18387	70248				56520		32886
prostaglandin F2alpha						57154													58619			47891	35279		22344
pseudouridine	787207	827791	962752	609401	1135510	1313800	1217382	605045	971988	2206716	2547742	1309021	1381729	763875	1078576	765177	886569	716239	2111540	965723	1267400	3380806	970113	937633	4849634
putrescine	175294	290942	1849940	220160	166566	374224	2140167	655282	2211579	2600331	3473923	549156	865013	496005	437085	546867	483025	478966	3726776	5621558	541769	7478443	3081583	889665	2031465
pyridoxal	277399	144460	284052	212840		291265	1131718		291560	294667	430195	305389	144173		248609		158290		1239387	145738	89479	226122	172002		569983
pyridoxal phosphate	713178		438953	568392	582669	711516		355772	719086	1092889	888770	410148	461347	500386	211822	427828		360833	451252	557219	259571	568167	596077	315383	353822
pyridoxamine		66534	240534				5615896					135429	60288	81064	91089				501385				128563		348818
pyridoxamine phosphate	614435	615212	1029840	596389	450850	466677	800050	524654	846548	606115	505655	867828	427721	755134	676947	910423	501239	581231	889990	705100	549849	710578	622764	804097	831448
pyridoxate	424122	369401	562211	196412	1033670	425280	1402620	227623	429888	801608	1225297	645830	388672	244588	487253	235422	393414	270103	988969	358142	524386	1056942	509374	145429	704350
pyrraline	50100	50499	34558	43241	37696	57251				91871	97029	58324		118236	52264	68129	70335	84202	84703	50628	27743	120461	56889		138687
pyruvate	21680356	13164074	27181918	33634608	41413484	16224286	3273825	24729208	3326771	1981984	1288766	45120656	18270484	15817401	19013766	17579308	21808472	26504246	27642228	27983952	39140440	22092636	3446501	31607498	13911396
quinate		171131			268541	265109	179219	313645	588951	1715258	2763648	579941	371350	148124			197853	190135	1089283	223895	139313	757316	847093	313247	683372
quinolinate											141558				84985										158300
raffinose	41602	60107	153527		59281	21793		145903	31494	712005	1772495	96225	314103	21454		39614			228101	39667	50060	96982	303395	31604	127282
retinol (Vitamin A)	125172	207292	116472	155653	59316	71126	153507	50920	136137	73018	75369	124041	206178	125537	297007	86202	73636	101826	47945	38513	57001	176281	40251	64983	84449
ribitol	202044	171034	303715	235611	245639	193617	10420149	283237	215035	291363	268132	321277	212198	195848	204814	277369	256818	287080	1638411	220410	187793	273884	194270	218806	1000715
riboflavin (Vitamin B2)	62088	90393	120336	64500	37960	80006	685070	88609	138259	78086	115861	109197	53316		136254	69895	85540	85666	353403	82444		131469	102748	66144	247977
ribonate	1328977	2074152	1594780	1779572	2248104	1633498	3942394	1353945	1397301	3439674	3972139	1562461	1704024	1152589	1313351	1232248	1596442	1553769	2355744	1387012	991798	2551946	1234286	1073635	1873692
ribose							8465424			167229	114141								1087412						972206
ribose 1-phosphate	1472865	1687609	2524193	2522875	1234364	3057980	8963893	2851988	7581386	6907017	5368049	4193786	3427132	2166236	2609289	1731370	2247921	2718617	5891120	1491951	1837777	3490680	8241223	2934338	5203123
ribulose/xylulose							1839257												278899						362006
S-(1,2-dicarboxyethyl)glutathione	558781	505678	736338	411109	323132	484705	537086	278319	800309	128079	85508	315807	250578	856374	846234	1034112	837284	602153	396664	1159337	326065	481960	773917	494234	477057
S-(3-hydroxypropyl)mercapturic acid (HPMA)	38131	43134	73568		93250	47633	30826	18541	40863	91540	199993	57850	48778	36525	79963	54480	36896	28718	94941	42494	35850	105446	34036		34361
S-1-pyrroline-5-carboxylate							1138945			651988	1000198								1522108			1167622			
S-adenosylhomocysteine (SAH)	852261	786815	939034	955898	857009	1017777	5154156	803412	1200963	1258936	1206088	918555	901202	905348	853470	1188095	903273	1408293	1823344	807132	695479	772599	1389064	675092	1929527
S-adenosylmethionine (SAM)	2252910	2907020	2398673	2043135	1862874	2321825	1360018	3594867	3802659	2032985	1897349	2309851	3056069	2158356	2487508	2440597	2185591	2207849	1688025	2535005	3327476	2426597	6648565	2661836	3878355
S-carboxymethyl-L-cysteine							29427				39662											39377			
S-methylcysteine	257868	141037	369863	379374	316462	342803	1047751	564950	751696	62196		395489	492324	360890	194873	362533	157401	230030	331717	417444	419370	191369	225431	354694	551244
S-methylglutathione	26275									59767	52773														
salicylate	890073	1237322	1100031	1272890	1924061	1099937	878759	1120271	1632201	2140781	2755389	1235016	1801874	1434136	853815	837106	2042206	938092	1678528	1328697	961890	2133685	1294381	750754	1073428
sarcosine	4905618	3347687	3134079	4896922	7122539	3215487	2054161		1078445	3860061	1072011	1344077	347392	10238452	5517687	8076563	4600598	16310840	2252507	2994537	2457860	2286300	2521762	909899	2527922
sebacate (C10-DC)	134092	139726	187503	166489	165857	169230	160903	144100	235452	204530	258932	151370	165920	192169	155926	172466	224345	150179	337789	192503	145324	165050	167389	176240	275464
sedoheptulose							799983																		
sedoheptulose-7-phosphate							613128																193509		174897
serine	159162528	228921456	187225648	167360672	164317696	125474656	1112698624	109917776	131622232	170683344	186682608	162128832	151557984	195398128	240373024	224871872	274588512	182309392	570881024	177995072	174408704	183819840	158957632	143539792	206920400
serotonin	463567	607243	823727	714974	512814	716034	667013	379064	737169	1082560	900412	669712	619807	510984	818603	567607	580716	585147	402829	415899	351443	472205	603967	410177	651569
spermidine	1579581	2293475	2167390	1897990	1750158	1881778	4548859	3021476	4610271	6093081	6363524	2713348	3349833	4521440	4223348	5090000	3764481	4456536	8379913	7905633	4882651	7358788	8024014	5003944	7414197
spermine	612193	549045	475839	504095	750545	410189	182239	138378	83446	1424067	1252547	320818	144870	949132	988730	982010	747698	499503	618294	516377	536021	139816	76335	229037	217139
sphingadienine	307835	364720	647058	248708	274677	290370	2306725	372669	784533	1642883	1306297	498581	415773	206668	228219	274193	291992	223891	508311	439840	415985	931512	608903	494213	473845
sphinganine	394166	432648	498430	266778	534945	678215	2360519	239852	1168545	2221809	2146853	647648	907477	590476	402522	398916	1452850	479958	1949689	879042	967457	1588908	1477799	576317	2029924
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	1709629	2746267	2210628	1523582	1430533	3623697	2525668	2589887	2690006	5497384	6733985	3182050	2354897	2161417	1940888	1413689	2693470	2333407	2755068	1505114	2711036	3416433	2580110	2052999	2950015
sphingomyelin (d18:0/18:0, d19:0/17:0)*	1166785	1741854	1256722	1367990	1246742	1296336	1000306	1241769	1588291	2291268	2147664	1641432	1588970	1232956	1544367	2198306	1536749	2367417	2104597	2203426	1441784	2818151	2019649	1657934	1870026
sphingomyelin (d18:0/20:0, d16:0/22:0)*		308836	196497	216886	115637				123160	744727	591397	186324	69448	124311	233192	379012	148823	404750	420727	388276		533794	278256	168235	269560
sphingomyelin (d18:1/14:0, d16:1/16:0)*	623594	1018538	893170	750971	639731	917864	653772	592168	761015	1283199	1569423	1077559	793675	784125	1082796	782526	1057002	997537	985132	804290	880488	945600	1036770	855475	878521
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	5891123	7482341	5724864	4987360	4454777	6282333	4174232	8242513	7264866	11887337	10891321	8665912	7090594	4971567	4078807	4486863	5517289	5708604	6183846	5117296	5841981	7434583	5760615	4683855	5697973
sphingomyelin (d18:1/18:1, d18:2/18:0)	6426175	7237016	6849068	9522926	7831842	7946109	6752255	8796893	8632186	10553887	10465675	8941342	6274554	7653344	7738699	9686949	7158899	9716402	10999189	11852248	8276877	9625052	13698153	7763244	8632929
sphingomyelin (d18:1/19:0, d19:1/18:0)*	4405932	3686641	3407188	2472229	2698183	2746103	2126683	5789615	4306965	7749820	6419817	6493708	5014002	2999099	2051868	2453272	3011341	2940473	3261229	2795977	2892223	4463434	2575586	3452642	3146799
sphingomyelin (d18:1/20:0, d16:1/22:0)*	5255107	6133138	6676690	5079933	4344982	4926497	3598196	5113389	6274583	11216736	11188243	9187131	5052982	4749020	4680404	6543830	4826267	7378605	8417705	6796267	4046079	7848189	6426175	6440422	5683042
sphingomyelin (d18:1/20:1, d18:2/20:0)*	514804	811438	974993	951264	540572	665237	839279	476192	671355	1118704	1169889	889639	355840	637203	597514	996852	603149	986787	1113440	987810	504068	1060788	1146070	710493	826874
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*	706461	740793	671437	320907	418901	444789	492558	938602	747508	2892832	2569498	1095776	835495	251250	553832	410897	605315	520801	941773	459616	481406	1002116	498307	957197	699384
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	2287033	2956040	2923277	2346213	2093560	2447671	2663988	2305239	2806643	5196941	5791177	3426590	1836161	2423297	2001126	2718596	1864418	3126638	3255432	2655485	2113310	3438198	2888372	2202729	2874643
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*						296092				533750	694908	366302		223067	478205		253789		536938	301347		673499	376883	235686	476401
sphingomyelin (d18:1/24:1, d18:2/24:0)*	22612784	30131720	28084156	21827136	17787846	27966060	23936726	21216188	29995148	58032916	57756772	30690488	23364362	20717336	22742260	26941464	23417790	27463342	37118008	26914912	19211192	37898056	30207446	25362164	29384628
sphingomyelin (d18:2/16:0, d18:1/16:1)*	2786361	3619968	5196012	4792369	3798964	4731854	4500415	3795096	4643381	6229645	6355399	5888118	3430942	3822850	3448171	4329638	3500746	4720543	4886598	4350725	4187894	6042664	5542325	4604816	5291069
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*	269521	1351276				812912	1119651	1147150		2912415	3199476	868231	1105264		1089573		781601	879490	299921	781188	1068226	1493413	995738	1491065	1526936
sphingomyelin (d18:2/23:1)*		136747	86475			155454			117047	250307	331873	151981	98115	83336			111751	104058	160628			137278			121404
sphingomyelin (d18:2/24:1, d18:1/24:2)*	6615111	10670119	9821685	7604408	6291030	10108366	8848165	6639260	8927888	16669047	18720082	10697272	7852356	7861022	9969831	10002306	10607824	11130170	12660753	9784160	7141923	14663457	11215829	8849066	11176296
sphingomyelin (d18:2/24:2)*						120617	165655			362199	518071	350964		176026	222262	173480	258666	241634	299798	257933		502757	324330		259604
sphingosine	1814813	2851928	3034015	1419752	2399210	2484218	17731260	2137785	5834392	17391746	10164861	4154681	4413369	2107211	1983057	1964207	3968012	2058292	5248303	3670283	4140846	7233309	4590734	3438194	4880337
stachydrine	71072600	79871496	57947148	55359796	74480208	91759936	7786545	8982719	15879734	103591048	124194504	66883356	35174648	53771572	60039100	48371504	66340040	62599820	54429972	48098096	44427112	83544576	45259892	27702772	95856840
stearate (18:0)	1520358272	1201332096	1170655744	947459328	1214588032	1318910592	1994648576	1507832704	1771652736	1239886464	934439616	1128620800	1169578112	1362603904	1445254144	1558648448	1462772352	2058131584	2693578240	1849375872	1096302080	1179073152	906397504	1304090368	969858816
stearidonate (18:4n3)	416196	274753	207056	111201	190806	182665	568840		307776	326133	379025	161364	138079	300185	589306	259607	487862	673949	940732	586339	220368	222292	130667	134459	165211
stearoyl ethanolamide	4351026	8120317	4759275	2460146	22298628	8321084	17887768	2292637	15929383	8430490	24333438	4718704	10478243	14290821	5419018	2875290	27743622	3803612	13565348	7794082	10719209	22623624	31651720	2254065	4057951
stearoyl sphingomyelin (d18:1/18:0)	184385392	181844496	158059472	150160496	156590288	161617520	104359576	229791392	178119488	321496352	268052848	251577136	244764816	152790544	142762688	171846528	182215184	195925120	233464496	214994144	167155424	260872784	216206432	223810944	195978240
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*								123442		2087439	1870211	355236				92749			476667			408075	235284	192093	
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*	764387	453797	1139519	828730	1166312	1732140	337438	3315275	2677403	4474038	4022254	5109115	3294928	1551340	513135	1774652	1112891	585253	2834489	1826161	889165	2327031	3973958	1895354	1525719
stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [1]*					253491	226212		448631	672579	3427985	3371050	1051947	893116	229822		199687	197845		1482959	272397		570727	549913	550264	351701
stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]*	678757	615989	1295243	924978	1134809	1594579	557320	3518698	3850928	4172901	3843621	7214277	4099725	1302665	505828	1264040	955283	500302	4367722	1804037	848799	2291768	3535127	1911641	1849380
stearoylcarnitine (C18)	18304492	32505210	35599940	22085820	17025398	34794892	20379532	20604170	84778192	84315584	81137136	75765128	102357224	49809856	88222896	24842588	28012818	48281756	48555892	73209296	79323328	55940024	76006032	140023152	29023084
suberate (C8-DC)		190090	138023	163623	342779	260970	283774	155129	256784	513271	328057	182553	316741	480183	152578	270302	170695	171132	395809	165294		337718	407422	239917	173927
succinate	416982976	594102208	425745152	368324832	305958816	470536928	565764352	312828800	517949792	124102640	121000696	449285280	329686336	351108576	546336256	573099200	282713440	463682944	199348032	435146816	435301824	239027552	749753408	303871616	572144128
succinoyltaurine	376368	313693	330856	253211	269351	265359	137074	233804	171999	318489	355713	382334	188230	280805	633014	505713	280607	341218	417646	485613	409503	415748	261187	250082	326256
succinylcarnitine (C4-DC)	2299673	2872762	3469340	1922519	1947586	2152998	3055584	4642048	3431356	4050154	3300594	5230407	4217691	2470046	3526791	3817540	7142191	1967515	3648476	5301167	2301102	3769904	4511473	5510039	5293117
sucrose	36815024	4760580	88878160	168387840	1493641	1143133	391201	373305152	93341376	16591642	354014784	10907859	291916096	45510552	12768046	120166768	3792920	3433442	450237248	1622303	393750432	859631	203751808	2664475	225649024
sulfate*	9784988	12741227	13940385	11354955	12541934	14795441	13075545	8819334	11355062	27761636	39994548	18262148	14489871	10328210	10554073	8060352	9667229	11093616	18912812	12799977	12450283	21307760	10377979	12419793	19727444
tartronate (hydroxymalonate)	468248	541657	807666	485718	406497	316577	239885	283954	157741	406369	593086	329140	243981	359458	259379	289668	409177	174343		211977		159281		220547	118875
taurine	1102887552	1042154560	1149756288	1092925696	1094455808	1094254592	926600192	1148437760	1270329344	1178110208	1288682112	1046457984	1153231616	1034486592	999840320	1206677632	1030566272	1050562816	1123496320	1202345728	1128780928	1155846912	1088682624	1079935104	1005527616
tauro-beta-muricholate	103152	4846378	6444476	197282	179515	2346109	1858082	49350	752592	175090	486179	1712113	1212232	249334	999407	41341	6747463	4254727	42983592	11571167	1405728	69986280	1790824	493849	3637695
taurochenodeoxycholate		226954	62113			63416	57120					40135	89402		200233		319345	328310	683684	159024		1027310	45642		
taurocholate	121608	8777373	2338597	312417	242399	2154597	1768601	86419	1447181	248138	753897	1925487	1921335	453172	2390434	88248	11168241	6320083	89499112	23435668	2773417	78418280	3097618	1102993	5471322
taurocyamine	1655909	1299568	1550010	1251554	1087647	2285701	1472821	1620954	1772335	1270943	984756	1708262	1287826	1465691	1446479	1901900	1350856	1453868	1475217	2005591	1434735	1596985	1971885	1839062	1598519
taurodeoxycholate		246516	111431			61327							106203	26550	289616		471274	980691	1169353	281162	110664	384271	53866	29051	
taurohyodeoxycholic acid		86974													69729		126181	273111	393619	70544		498693			59561
tauroursodeoxycholate		56727	59785												19887		97053	219815	758360	165110		448414			36450
tetracosadienoylcarnitine (C24:2)*		651111	60156			209016	9905746		301066			48333	172116		67512		80523		412457	95932			1207802	109699	7192302
tetradecadienoate (14:2)*	642390	604193	1008909	470846	365687	698768	1826576	339995	1311025	803371	1107693	996540	925220	693271	948369	745875	1005321	764687	1106059	1259633	1064484	734812	568914	930893	1066714
tetradecanedioate (C14)		119188	101060	119208	142815	87060	167138		101260	71630	161207	95176	125154	87344	128127	105139	121246	140706	115686		55155	147913	80294	84510	108798
thiamin (Vitamin B1)	42349	88150	106654	51386	64430		1487922	60382	43461		147587								617584	34919		138881	102106		286877
thiamin monophosphate										70088									520220						198162
thioproline	4331875	6236771	11217488	5795609	4379767	6023682	41054432	5100199	8174764	9978310	10554259	8648326	6448285	3770698	4383126	5171542	4831140	4017440	15266554	6750924	6237035	9313942	7523127	12425295	11856892
threonate	52451844	38031876	53558124	47702532	52353400	42772840	52318704	43134176	55603572	86128968	85452360	34744704	35194156	48754152	43038800	54674972	46473624	39734692	49149656	53630248	33742084	51365188	42437304	36986272	43362296
threonine	251132064	224545328	253972192	214930864	186158832	179124848	1275983360	177539664	242274704	200563600	193252096	274970528	263701984	247363024	229654528	271971872	240648768	240265296	619750784	277814560	281851488	345597024	311291488	275766688	349061216
threonylphenylalanine		30559	86787		17507	18498	167498	25615	28280			32188	27673	22009			19012	26286	60821	33403	36848		34750		130944
thymidine	844565	961284	1453758	1074587	1233578	1542795	1288020	1283885	1810816	1614878	2052078	1450690	1453638	1492833	1441606	976120	1890867	1231005	1471243	1057922	1353856	1967728	1937602	1692487	2123242
TMP														22672			17658	33548				42778			
thymine		70100	1190318		86799	124798	292120	29911	149006	135268	169756	32169	50623		81176		109400	55892	219915		75120	111586	121248	43321	364282
tiglyl carnitine (C5)	495310	669442	362992	504720	252116	636955		293865	270278	537876	540932	1160670	228937	601411	614779	761356	591593	451922	697579	1278334	786142	934540	452255	377299	727507
trans-2-hexenoylglycine		42530			139325	50889	57691	81854	46887		42408		33645		41915				48964		47910		34303		14944
hydroxyproline	139536144	113068448	137802752	165707600	189993200	130976032	38017868	69014848	46447908	28939828	26597008	54216280	58969648	325976576	209617376	359029312	278104128	337765056	57663824	90420720	95540736	64258032	67690448	60200256	61581404
trans-urocanate	4899350	18851304	8717672	1793623	57968332	32399772	26788030	14526995	40486624	29921980	73751112	22629572	27558632	17343608	3998793	1877652	37316864	15782008	45081888	15232600	26967794	18174838	24611122	9189779	6480173
tricarballylate	276943	247383	344774	37968	176818	232179	148267	57338	109132	899897	1847693	422474	167496	112806	165371	151209	127217	104553	363304	193873	229840	707976	212635	77012	255732
tricosanoyl sphingomyelin (d18:1/23:0)*	3092509	2221982	2703497	1302439	1417509	2140779	940294	2369916	2496869	6349496	5024454	4254625	2849858	1882841	2454043	2168288	2258842	2071346	4306509	2441254	1778547	3250038	2658873	3970560	2880437
trigonelline (N'-methylnicotinate)	22415342	23018032	19046996	20705388	29305560	27194048	6722707	11763789	9734553	53806784	61213060	31166456	11826582	24544852	21894280	26528804	21790172	26636302	32977306	21915696	24259730	38335576	23548792	17834000	40973672
trimethylamine N-oxide	7743912	4904446	5016666	5587977	6960944	9881175	1147911	3270021	3002480	17832430	23689888	9273266	4466663	3965176	2941623	4560445	2836163	4873149	6191957	4479727	6939627	15635759	3069140	6064301	10154757
tryptophan	30161072	51816760	55084200	27516626	23857916	42555700	372577024	32305462	58716432	49127300	54073720	56252772	58673152	35410136	44585256	37529660	49467788	30033358	173367984	53927884	63208452	50428432	63573036	46582656	84531040
tyramine	143919	179662	21223540	168359	165647	102112	3466891	23421	167731	123974	102902		81672						836291		111404	705877			848716
tyrosine	13363345	21521908	18246742	13310604	8061857	9655165	88432360	7367493	14040508	14441321	15030943	11760454	18887960	13702973	23115904	15887442	21974216	14137415	45454804	12972205	13684389	14454970	15121827	10289950	21438548
tyrosol							60396												136605			16725			50386
tyrosylglycine		20383	136045		24940	26621	483357	43731	58463	62839	120028	67470	40650	32171	26094		22596	31748	247089	58653	54710	66402	80508	38411	141633
UDP-galactose	17751					28463			168008	636058	537342	120945	167592	53735	220478	20609				45694	22176	227074	144349	219215	260949
UDP-glucose	133956	132437	146673	159161	148263	113016		120841	219156	846375	795275	91438	119536	115011	236436	163061	123645			247798	164092	319062	225478	341577	222409
UDP-glucuronate	67971	45437	104930	74472	95864	70143		33319	72742	411445	377240		67484	72994	129212	142547		150023	234876	245858	43355	483587	141287	101847	162312
UDP-N-acetylglucosamine/galactosamine	420925	483644	577057	288896	277363	460775		374921	789663	848909	1141076	354842	524249	495557	454605	863791	599678	572216	537767	1016368	448786	1473463	759440	457773	522674
uracil	305733	2162701	8618885	748935	630686	1715746	18486910	772130	4046984	2648848	2436956	1669328	1538201	303408	3604193	1040140	3638412	1233744	12185795	887150	1806916	2407401	6020745	1191136	13887068
urate	1225726	3810142	2704646	1263114	1323097	3158503	19065992	2106293	5809771	3044672	4865416	3775017	3121270	1519208	3059027	2217366	4590171	1508345	8003182	2874375	2844595	4273360	9517745	2635578	8858652
urea	182455984	141986480	164530880	125446216	191211072	235969552	196719552	117451576	349600128	768441600	782315264	295784768	336279808	162412752	116782616	138046192	132730384	169053424	366527264	159187728	131782952	526710208	252930928	181748128	713263680
uric acid ribonucleoside*							34586																		16787
uridine	10996674	10773090	15074479	11022204	9337126	14238661	46149048	16444068	34425884	28070148	26527256	21385510	21393040	11503617	13329487	10908075	10238745	13796633	32669652	8176493	8398763	15623354	22835484	12457924	29273170
uridine 5'-diphosphate (UDP)	1728501	1477090	1753834	1253550	1529522	1316839		1470163	872316	1282109	738180	1403775	1645994	1820784	1712712	2882830	1373297	2474568	1378665	2458567	1472979	2385364	546730	1909020	813359
UMP	958400	741849	1912826	590576	478350	2092926	267379	1890539	2214163	3335795	3775365	2004463	3132109	2531079	1367800	1822364	1277498	3369133	1242881	1898354	1548475	6139092	5427015	3504801	4039799
uridine 5'-triphosphate (UTP)	1789191	1427795	1762652	1738576	2347328	1299250		849291	270973			929564	547123	1895410	1696065	2834231	2335817	1689700	1383692	2529623	1587172	307301	36711	1046861	69833
uridine-2',3'-cyclic monophosphate											19410														
ursocholate			78991														26498				30800				
ursodeoxycholate	77477	151628	176476			35434	29475								71626		139231								
valerate (5:0)									150963	205096						104144			134124						
valerylglycine (C5)	166662	337160	280262	80410	1206372	272999	402959	137010	384108	223298	617169	273537	238812	177038	307163	134206	296676	65994	343141	170208	157472	272654	402587	38464	191515
valine	354077632	368688352	394236064	307092352	262370272	242082736	2312879360	513320000	501851584	783293376	714945088	581948288	350353728	344913568	297098560	318252576	376300384	374194496	1100802048	392502816	372888992	495980928	899617152	642529664	942561472
valylglutamine			410752			26912	92895	35878	60263	69481	89464		46531	33304	21669			40114	80098	58419	56893	20021	105823	45474	201678
valylglycine	37669	50982	588008	47175	53427	65197	811022	97093	120073	78930	105663	133371	108557	72474	47370	47433	42566	74300	370537	98312	117405	115750	203066	115372	824919
valylleucine			524640		57606							53821									60662		95119		229835
xanthine	10019614	11176812	37636564	8302623	4953215	23785976	189232176	11038287	34398280	24269934	14486288	20265264	12856202	15828252	14930139	10603677	14340334	18742634	69859744	11949321	8761461	20085156	34065544	15708991	81204552
xanthosine	76225	109547	422859		51417	111622	4837920	58617	191799	87845	123786	50869	71505	41326	118312	70038	123321	43641	973261	34924	66063	172496	473823	56841	1776265
xanthosine 5'-monophosphate (xmp)																			45044						
xanthurenate			35252		91645					19144	85417				100836		42831		26444	18695		60835	29810		
ximenoylcarnitine (C26:1)*							863640																		434192
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	SUPER PATHWAY	SUB PATHWAY	COMP ID	PLATFORM	CHEMICAL ID	RI	MASS	PUBCHEM	CAS	KEGG	HMDB
(14 or 15)-methylpalmitate (a17:0 or i17:0)	Lipid	Fatty Acid, Branched	38768	LC/MS Neg	100002945	5695	269.2487	8181;17903417		C16995	HMDB0061859
(16 or 17)-methylstearate (a19:0 or i19:0)	Lipid	Fatty Acid, Branched	38296	LC/MS Neg	100002356	5993	297.2799	3083779	2724-59-6		HMDB0037397
(R)-3-hydroxybutyrylcarnitine	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)	43264	LC/MS Pos Early	100003926	2400	248.1493	53481617			HMDB0013127
(S)-3-hydroxybutyrylcarnitine	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)	52984	LC/MS Pos Early	100009271	2340	248.1493	71464477			HMDB0013127
1,2,3-benzenetriol sulfate (2)	Xenobiotics	Chemical	48762	LC/MS Neg	100006374	1709	204.9812	54110629;92013662			HMDB0060018,HMDB0060016
1,2-dilinoleoyl-GPC (18:2/18:2)	Lipid	Phosphatidylcholine (PC)	52603	LC/MS Pos Late	100008903	2100	782.5694	5288075	998-06-1		HMDB0008138
1,2-dilinoleoyl-GPE (18:2/18:2)*	Lipid	Phosphatidylethanolamine (PE)	53174	LC/MS Pos Late	100009217	2150	740.5225	9546812			HMDB0009093
1,2-dioleoyl-GPC (18:1/18:1)	Lipid	Phosphatidylcholine (PC)	52457	LC/MS Pos Late	100008905	2420	786.6007	10350317	4235-95-4		HMDB0000593
1,2-dioleoyl-GPE (18:1/18:1)	Lipid	Phosphatidylethanolamine (PE)	52609	LC/MS Pos Late	100008906	2535	744.5538	9546757	5/1/4004		HMDB0009059
1,2-dioleoyl-GPS (18:1/18:1)	Lipid	Phosphatidylserine (PS)	19191	LC/MS Pos Late	1533	2800	788.5436	6438639	6811-55-8		HMDB12390
1,2-dipalmitoyl-GPC (16:0/16:0)	Lipid	Phosphatidylcholine (PC)	19130	LC/MS Pos Late	100000657	2450	734.5694	452110	63-89-8	D03585	HMDB0000564
1,2-dipalmitoyl-GPE (16:0/16:0)*	Lipid	Phosphatidylethanolamine (PE)	57341	LC/MS Pos Late	100009204	2498	692.5225	445468			HMDB0008923
1,5-anhydroglucitol (1,5-AG)	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	20675	LC/MS Neg	100000580	802	163.0612	64960	154-58-5	C07326	HMDB0002712
1-(1-enyl-oleoyl)-GPE (P-18:1)*	Lipid	Lysoplasmalogen	44621	LC/MS Pos Late	100005372	1566	464.3136
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	Lipid	Plasmalogen	52689	LC/MS Pos Late	100009014	2200	766.5745				HMDB0011220
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	Lipid	Plasmalogen	52673	LC/MS Pos Late	100009002	2300	724.5276	52925126			HMDB0011352
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	Lipid	Plasmalogen	52682	LC/MS Pos Late	100009009	2300	742.5745	24779386			HMDB0011211
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	Lipid	Plasmalogen	52677	LC/MS Pos Late	100009069	2400	700.5276	52925127			HMDB0011343
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	Lipid	Plasmalogen	52478	LC/MS Pos Late	100009007	2550	744.5902	34779384			HMDB0007996
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	Lipid	Plasmalogen	52477	LC/MS Pos Late	100009005	2750	702.5432	52925128			HMDB0011342
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	Lipid	Plasmalogen	52713	LC/MS Pos Late	100009160	2218	716.5589	52923882			HMDB0011207
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	Lipid	Plasmalogen	52716	LC/MS Pos Late	100009162	2550	718.5745	11146967			HMDB0011206
1-(1-enyl-palmitoyl)-GPC (P-16:0)*	Lipid	Lysoplasmalogen	52474	LC/MS Pos Late	100002875	1547	480.3449	10917802			HMDB0010407
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	Lipid	Lysoplasmalogen	39270	LC/MS Pos Late	100003000	1558	438.2979				HMDB0011152
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	Lipid	Plasmalogen	52475	LC/MS Pos Late	100008999	2550	752.5589	9547058			HMDB0005779
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	Lipid	Plasmalogen	52614	LC/MS Pos Late	100008919	3100	730.5745	42607457	144371-68-6		HMDB0011375
1-(1-enyl-stearoyl)-GPE (P-18:0)*	Lipid	Lysoplasmalogen	39271	LC/MS Pos Late	100003001	1649	466.3292
1-arachidonoyl-GPC* (20:4)*	Lipid	Lysophospholipid	34061	LC/MS Neg	100001551	6074	618.3413	24779476		C05208	HMDB0010395
1-arachidonoyl-GPE (20:4n6)*	Lipid	Lysophospholipid	35186	LC/MS Neg	100001571	5874	500.2783	42607465			HMDB0011517
1-arachidonoyl-GPI* (20:4)*	Lipid	Lysophospholipid	34214	LC/MS Neg	100001654	5482	619.2889	121596217			HMDB0061690
1-arachidonylglycerol (20:4)	Lipid	Monoacylglycerol	34397	LC/MS Neg	100001433	6250	303.2329	16019980;5282281	35474-99-8	C13857	HMDB11578
1-carboxyethylhistidine	Amino Acid	Histidine Metabolism	64595	LC/MS Neg	100022036	1071	226.0833	53990435
1-carboxyethylisoleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	62558	LC/MS Neg	100020427	2628	202.1085
1-carboxyethylleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	62559	LC/MS Neg	100020425	2663	202.1085
1-carboxyethylphenylalanine	Amino Acid	Phenylalanine Metabolism	62566	LC/MS Neg	100020419	2844	236.0928	59100900
1-carboxyethyltyrosine	Amino Acid	Tyrosine Metabolism	62564	LC/MS Neg	100020421	1846	252.0877
1-carboxyethylvaline	Amino Acid	Leucine, Isoleucine and Valine Metabolism	62562	LC/MS Neg	100020423	2008	188.0928
1-dihomo-linolenylglycerol (20:3)	Lipid	Monoacylglycerol	48341	LC/MS Neg	100006121	6400	305.2486
1-dihomo-linoleoylglycerol (20:2)	Lipid	Monoacylglycerol	35103	LC/MS Neg	100001483	6800	307.2642
1-docosahexaenoylglycerol (22:6)	Lipid	Monoacylglycerol	35153	LC/MS Neg	100001481	6150	309.2224	53480995			HMDB0011587
1-eicosapentaenoylglycerol (20:5)*	Lipid	Monoacylglycerol	53220	LC/MS Neg	100009403	6088	301.2173	53480988			HMDB11580
1-heptadecenoylglycerol (17:1)*	Lipid	Monoacylglycerol	62449	LC/MS Neg	100020769	6390	267.2329
1-lignoceroyl-GPC (24:0)	Lipid	Lysophospholipid	49617	LC/MS Pos Late	100002873	1907	608.465	24779481	325171-59-3		HMDB0010405
1-linolenoyl-GPC (18:3)*	Lipid	Lysophospholipid	45951	LC/MS Pos Late	100005350	1410	518.3241			C04100	HMDB0010388
1-linolenoylglycerol (18:3)	Lipid	Monoacylglycerol	34393	LC/MS Neg	100001435	6214	277.2173	53480978	124151-74-2		HMDB0011569
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	Lipid	Phosphatidylcholine (PC)	52710	LC/MS Pos Late	100009131	2000	806.5694	24778979		C05208	HMDB0008147
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	Lipid	Phosphatidylcholine (PC)	53176	LC/MS Pos Late	100009343	1939	780.5538	52922731			HMDB0008141
1-linoleoyl-GPC (18:2)	Lipid	Lysophospholipid	34419	LC/MS Pos Late	100001395	1465	520.3398	11988421		C04100	HMDB0010386
1-linoleoyl-GPE (18:2)*	Lipid	Lysophospholipid	36600	LC/MS Pos Late	100001570	1482	478.2928	52925130			HMDB0011507
1-linoleoyl-GPG (18:2)*	Lipid	Lysophospholipid	54885	LC/MS Polar	100009227	860	507.2728
1-linoleoyl-GPI* (18:2)*	Lipid	Lysophospholipid	36594	LC/MS Neg	100001778	5494	595.2889	11124828
1-linoleoyl-GPS (18:2)*	Lipid	Lysophospholipid	43676	LC/MS Neg	100004606	5500	520.2681
1-linoleoylglycerol (18:2)	Lipid	Monoacylglycerol	27447	LC/MS Neg	100001040	6477	279.2329	5283469	2277-28-3		HMDB0011568
1-methyl-4-imidazoleacetate	Amino Acid	Histidine Metabolism	32350	LC/MS Pos Early	100001208	2064	141.0659	75810	2625-49-2	C05828	HMDB0002820
1-methyl-5-imidazoleacetate	Amino Acid	Histidine Metabolism	62946	LC/MS Pos Early	100002910	1989	141.0659	6451814	4200-48-0		HMDB04988
1-methylguanidine	Amino Acid	Guanidino and Acetamido Metabolism	48114	LC/MS Pos Early	100000715	2149	74.0713	10111	22661-87-6	C02294	HMDB0001522
1-methylhistamine	Amino Acid	Histidine Metabolism	43831	LC/MS Pos Early	100001204	3040	126.1026	3614	501-75-7	C05127	HMDB0000898
1-methylhistidine	Amino Acid	Histidine Metabolism	30460	LC/MS Pos Early	100001051	2755	170.0924	92105	332-80-9	C01152	HMDB0000001
1-methylnicotinamide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	27665	LC/MS Pos Early	55	1940	137.0709	457	1005-24-9	C02918	HMDB0000699
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	Lipid	Phosphatidylcholine (PC)	53195	LC/MS Pos Late	100009139	1950	754.5381	24778634			HMDB0007883
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	Lipid	Phosphatidylcholine (PC)	19258	LC/MS Pos Late	100000672	2250	706.5381	129657	69525-80-0		HMDB0007869
1-myristoylglycerol (14:0)	Lipid	Monoacylglycerol	35625	LC/MS Neg	100001618	6353.3	227.2016	10957631	75685-84-6	C01885	HMDB0011561
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*	Lipid	Phosphatidylethanolamine (PE)	55041	LC/MS Pos Late	100009219	2200	766.5381	348281223			HMDB0009069
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*	Lipid	Phosphatidylinositol (PI)	54994	LC/MS Pos Late	100010951	2568	902.5753
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	Lipid	Phosphatidylcholine (PC)	52697	LC/MS Pos Late	100009130	2100	832.5851	24778955			HMDB0008123
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*	Lipid	Phosphatidylethanolamine (PE)	53209	LC/MS Pos Late	100009220	2119	790.5381	52922113			HMDB0009078
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	Lipid	Phosphatidylcholine (PC)	52453	LC/MS Pos Late	100008981	2250	784.5851	24778939			HMDB0008105
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	Lipid	Phosphatidylethanolamine (PE)	52687	LC/MS Pos Late	100009078	2270	742.5381	9546753			HMDB0005349
1-oleoyl-GPC (18:1)	Lipid	Lysophospholipid	48258	LC/MS Pos Late	100001272	1540	522.3554	16081932	19420-56-5	C03916	HMDB0002815
1-oleoyl-GPE (18:1)	Lipid	Lysophospholipid	35628	LC/MS Pos Late	100001569	1554	480.3085	9547071	89576-29-4		HMDB0011506
1-oleoyl-GPG (18:1)*	Lipid	Lysophospholipid	45968	LC/MS Neg	100005716	5610	509.2885
1-oleoyl-GPI (18:1)	Lipid	Lysophospholipid	36602	LC/MS Neg	100001777	5599	597.3045	86289645			HMDB0061693
1-oleoyl-GPS (18:1)	Lipid	Lysophospholipid	19260	LC/MS Pos Late	100000630	1555	524.2983	85036846	326589-90-6		HMDB0061694
1-oleoylglycerol (18:1)	Lipid	Monoacylglycerol	21184	LC/MS Neg	100000924	6650	281.2486	5283468	111-03-5		HMDB0011567
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*	Lipid	Phosphatidylcholine (PC)	53180	LC/MS Pos Late	100009345	1900	754.5381	52922452			HMDB0008008
1-palmitoleoyl-GPC* (16:1)*	Lipid	Lysophospholipid	33230	LC/MS Pos Late	100001511	1450	494.3241	24779461			HMDB0010383
1-palmitoleoylglycerol (16:1)*	Lipid	Monoacylglycerol	52431	LC/MS Neg	100008952	6094	253.2173
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	Lipid	Phosphatidylcholine (PC)	52462	LC/MS Pos Late	100008914	2200	782.5694	10747814	35418-58-7	C05208	HMDB0007982
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	Lipid	Phosphatidylethanolamine (PE)	52464	LC/MS Pos Late	100008990	2250	740.5225	9546800		C05210	HMDB0005323
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	Lipid	Phosphatidylinositol (PI)	52467	LC/MS Polar	100008993	892	857.5186				HMDB0009789
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*	Lipid	Phosphatidylcholine (PC)	52454	LC/MS Pos Late	100008985	2285	784.5851
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	Lipid	Phosphatidylcholine (PC)	52610	LC/MS Pos Late	100008915	2055	806.5694	6441886	59403-54-2		HMDB0007991
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	Lipid	Phosphatidylethanolamine (PE)	52465	LC/MS Pos Late	100008991	2160	764.5225	9546799			HMDB0008946
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*	Lipid	Phosphatidylcholine (PC)	54812	LC/MS Pos Late	100009154	2110	756.5538	24778699			HMDB0007974
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	Lipid	Phosphatidylcholine (PC)	42446	LC/MS Pos Late	1537	2160	758.5694	5287971	40811-94-7		HMDB0007973
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	Lipid	Phosphatidylethanolamine (PE)	42449	LC/MS Pos Late	100001870	2350	716.5225	9546747			HMDB0005322
1-palmitoyl-2-linoleoyl-GPG (16:0/18:2)	Lipid	Phosphatidylglycerol (PG)	52628	LC/MS Pos Late	1543	2730	764.5436	52927246	322647-44-9		HMDB0010575
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	Lipid	Phosphatidylinositol (PI)	52450	LC/MS Polar	1528	910	833.5185	46891795			HMDB0009784
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	Lipid	Phosphatidylcholine (PC)	52461	LC/MS Pos Late	1539	2450	760.5851	6436017	26853-31-6;26853-31-6	C13875	HMDB0007972
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	Lipid	Phosphatidylethanolamine (PE)	19263	LC/MS Pos Late	1526	2600	718.5381	5283496	26662-94-2		HMDB0005320
1-palmitoyl-2-oleoyl-GPG (16:0/18:1)	Lipid	Phosphatidylglycerol (PG)	52448	LC/MS Pos Late	100000641	3206	766.5593	70789105
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*	Lipid	Phosphatidylinositol (PI)	52669	LC/MS Polar	100009066	893	835.5342	71296232			HMDB0009783
1-palmitoyl-2-oleoyl-GPS (16:0/18:1)	Lipid	Phosphatidylserine (PS)	19261	LC/MS Pos Late	1531	2660	762.528	5283499	40290-44-6	C13880	HMDB0012357
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	Lipid	Phosphatidylcholine (PC)	52470	LC/MS Pos Late	100008984	2200	732.5538	6443788			HMDB0007969
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	Lipid	Phosphatidylcholine (PC)	52616	LC/MS Pos Late	100008921	2750	762.6007	24778686	59403-51-9	C03889	HMDB0007970
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*	Lipid	Phosphatidylethanolamine (PE)	57388	LC/MS Pos Late	100009205	2850	720.5538	5326793			HMDB08925
1-palmitoyl-GPC (16:0)	Lipid	Lysophospholipid	33955	LC/MS Pos Late	100001263	1525	496.3398	86554	17364-16-8	C04102	HMDB0010382
1-palmitoyl-GPE (16:0)	Lipid	Lysophospholipid	35631	LC/MS Pos Late	100001567	1544	454.2928	9547069	53862-35-4		HMDB0011503
1-palmitoyl-GPG (16:0)*	Lipid	Lysophospholipid	45970	LC/MS Neg	100005717	5570	483.2728	3300276
1-palmitoyl-GPI* (16:0)	Lipid	Lysophospholipid	35305	LC/MS Neg	100001655	5564	571.2889	71296207			HMDB0061695
1-palmitoyl-GPS (16:0)*	Lipid	Lysophospholipid	46130	LC/MS Neg	100005805	5572	496.2681	9547100
1-palmitoylglycerol (16:0)	Lipid	Monoacylglycerol	21127	LC/MS Neg	100000827	6550	255.2329	14900	542-44-9		HMDB0011564
1-pentadecanoylglycerol (15:0)	Lipid	Monoacylglycerol	47898	LC/MS Neg	100001431	6200	241.2173	190750	104140-07-0
1-ribosyl-imidazoleacetate*	Amino Acid	Histidine Metabolism	61868	LC/MS Pos Early	100001668	2006	259.0925	440569	29605-99-0	C05131	HMDB0002331
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	Lipid	Phosphatidylcholine (PC)	42450	LC/MS Pos Late	100001869	2400	810.6007	16219824	35418-59-8		HMDB0008048
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	Lipid	Phosphatidylethanolamine (PE)	52447	LC/MS Pos Late	100008977	2475	768.5538	5289133		C05210	HMDB0009003
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	Lipid	Phosphatidylinositol (PI)	52449	LC/MS Polar	100000616	870	885.5495		383907-33-3		HMDB0009815
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	Lipid	Phosphatidylserine (PS)	52235	LC/MS Pos Late	100001872	2565	812.5436	24779545			HMDB0012383
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	Lipid	Phosphatidylcholine (PC)	52611	LC/MS Pos Late	100008916	2300	834.6013	24778876	59403-52-0		HMDB0008057
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	Lipid	Phosphatidylethanolamine (PE)	52466	LC/MS Pos Late	100008992	2375	792.5538	9546798			HMDB0009012
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	Lipid	Phosphatidylcholine (PC)	52452	LC/MS Pos Late	100008980	2450	786.6007	6441487			HMDB0008039
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	Lipid	Phosphatidylethanolamine (PE)	52446	LC/MS Pos Late	100008976	2575	744.5538	9546749			HMDB0008994
1-stearoyl-2-linoleoyl-GPS (18:0/18:2)	Lipid	Phosphatidylserine (PS)	53009	LC/MS Pos Late	100000642	2689	788.5436	9547091	322647-11-0
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	Lipid	Phosphatidylcholine (PC)	52438	LC/MS Pos Late	100008904	2644	788.6164	24778825	56421-10-4		HMDB0008038
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	Lipid	Phosphatidylethanolamine (PE)	42448	LC/MS Pos Late	100001856	2950	746.5694	9546742			HMDB0008993
1-stearoyl-2-oleoyl-GPG (18:0/18:1)	Lipid	Phosphatidylglycerol (PG)	52623	LC/MS Polar	100001866	717	775.5495	24779551	322647-48-3		HMDB0010604
1-stearoyl-2-oleoyl-GPS (18:0/18:1)	Lipid	Phosphatidylserine (PS)	19265	LC/MS Pos Late	100000639	3000	790.5593	9547087			HMDB0010163
1-stearoyl-GPC (18:0)	Lipid	Lysophospholipid	33961	LC/MS Pos Late	100001271	1606	524.3711	497300	19420-57-6		HMDB0010384
1-stearoyl-GPE (18:0)	Lipid	Lysophospholipid	42398	LC/MS Pos Late	100001461	1626	482.3241	9547068	69747-55-3		HMDB0011130
1-stearoyl-GPG (18:0)	Lipid	Lysophospholipid	34437	LC/MS Neg	100001462	5816	511.3041
1-stearoyl-GPI (18:0)	Lipid	Lysophospholipid	19324	LC/MS Neg	100000656	5794	599.3202	71581135;42607495	796963-93-4		HMDB0240261
1-stearoyl-GPS (18:0)*	Lipid	Lysophospholipid	45966	LC/MS Pos Late	100004327	1634	526.314	74819135			HMDB0061698
10-heptadecenoate (17:1n7)	Lipid	Long Chain Monounsaturated Fatty Acid	33971	LC/MS Neg	100001278	5555	267.233	5312435	29743-97-3		HMDB0060038
10-nonadecenoate (19:1n9)	Lipid	Long Chain Monounsaturated Fatty Acid	33972	LC/MS Neg	100001277	5780	295.2643	5312513	73033-09-7		HMDB0013622
12,13-DiHOME	Lipid	Fatty Acid, Dihydroxy	38395	LC/MS Neg	62	5137	313.2384	10236635	263399-35-5	C14829	HMDB0004705
12-dehydrocholate	Lipid	Secondary Bile Acid Metabolism	44644	LC/MS Neg	100001072	4871	405.2646	6674	2458-08-4;2458-08-4		HMDB00400
12-HETE	Lipid	Eicosanoid	37536	LC/MS Neg	100002167	5326	319.2279	5283155	71030-37-0;73837-14-6	C14777	HMDB0006111
12-HHTrE	Lipid	Eicosanoid	57393	LC/MS Neg	1261	5175	279.1966	5283141	54397-84-1	C20388	HMDB0012535
13-HODE + 9-HODE	Lipid	Fatty Acid, Monohydroxy	37752	LC/MS Neg	100002196	5275	295.2283	5312830;1424;5282947;5282944;5282945		C14767,C14762	HMDB0004667,HMDB0004670
14-HDoHE/17-HDoHE	Lipid	Docosanoid	53034	LC/MS Neg	100009278	5296	343.2279	11566378;6439179			HMDB0010213,HMDB0060044
15-HETE	Lipid	Eicosanoid	37538	LC/MS Neg	100000565	5298	319.2279	9966861	54845-95-3	C04742	HMDB0003876
2'-deoxyadenosine	Nucleotide	Purine Metabolism, Adenine containing	1553	LC/MS Pos Early	211	2252	252.1091	13730	16373-93-6	C00559	HMDB0000101
2'-deoxyadenosine 5'-monophosphate	Nucleotide	Purine Metabolism, Adenine containing	46333	LC/MS Neg	100000485	1315	330.0609	12599	653-63-4	C00360	HMDB0000905
2'-deoxycytidine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	15949	LC/MS Pos Early	100000125	2193	228.0979	13711	951-77-9	C00881	HMDB0000014
dCMP	Nucleotide	Pyrimidine Metabolism, Cytidine containing	533	LC/MS Pos Early	298	975	308.0642	13945	1032-65-1	C00239	HMDB0001202
2'-deoxyguanosine	Nucleotide	Purine Metabolism, Guanine containing	1411	LC/MS Neg	348	1700	266.0895	135398592	961-07-9	C00330	HMDB0000085
2'-deoxyinosine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	15076	LC/MS Neg	100000135	1688	251.0786	135398593	890-38-0	C05512	HMDB0000071
2'-deoxyuridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	52602	LC/MS Neg	536	1586	227.0673	13712	951-78-0	C00526	HMDB0000012
2'-O-methylcytidine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	57554	LC/MS Pos Early	100010895	2411	258.1085	150971	2140-72-9
2'-O-methyluridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	57655	LC/MS Neg	100010896	1831	257.0779	102212	2140-76-3
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	62805	LC/MS Neg	100020893	1156	177.0227				HMDB0240388
2,3-dihydroxyisovalerate	Xenobiotics	Food Component/Plant	38276	LC/MS Polar	100002417	1050	133.0506	677	1756-18-9	C04039	HMDB0012141
2,4-di-tert-butylphenol	Xenobiotics	Chemical	64328	LC/MS Neg	100021918	5749	205.1597		96-76-4
2,4-dihydroxybutyrate	Lipid	Fatty Acid, Dihydroxy	62951	LC/MS Polar	100002285	1793	119.035	192742	1518-62-3		HMDB0000360
2,6-dihydroxybenzoic acid	Xenobiotics	Drug - Topical Agents	63042	LC/MS Neg	100020837	2575	153.0193	9338	303-07-1		HMDB0013676
2,8-quinolinediol sulfate	Xenobiotics	Food Component/Plant	48691	LC/MS Neg	100004321	2612	239.9972
2-aminoadipate	Amino Acid	Lysine Metabolism	6146	LC/MS Polar	381	3500	160.0615	92136	542-32-5;1118-90-7	C00956	HMDB0000510
2-aminoheptanoate	Lipid	Fatty Acid, Amino	43761	LC/MS Pos Early	100004542	3160	146.1176	227939	1115-90-8		HMDB0094649
2-aminooctanoate	Lipid	Fatty Acid, Amino	43343	LC/MS Neg	100004227	3385	158.1187	69522	644-90-6		HMDB0000991
2-aminophenol sulfate	Xenobiotics	Food Component/Plant	43266	LC/MS Neg	100004322	1677	188.0023	181670			HMDB0061116
2-arachidonoylglycerol (20:4)	Lipid	Monoacylglycerol	19266	LC/MS Neg	100000584	6170	303.2329	5282280	53847-30-6	C13856	HMDB0004666
2-butenoylglycine	Lipid	Fatty Acid Metabolism (Acyl Glycine)	61785	LC/MS Neg	100016110	1380	142.051	6303498	71428-89-2
2-docosahexaenoylglycerol (22:6)*	Lipid	Monoacylglycerol	48675	LC/MS Neg	100006352	6050	309.2224	46896303			HMDB0011557
2-hydroxy-3-methylvalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	36746	LC/MS Neg	100001541	1800	131.0714	164623	488-15-3		HMDB0000317
2-hydroxy-4-(methylthio)butanoic acid	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	63739	LC/MS Neg	100021372	1397	149.0278	11427	583-91-5		HMDB0037115
2-hydroxyadipate	Lipid	Fatty Acid, Dicarboxylate	31934	LC/MS Polar	100001153	3000	161.0455	193530	18294-85-4	C02360	HMDB0000321
2-hydroxyarachidate*	Lipid	Fatty Acid, Monohydroxy	61700	LC/MS Neg	100019892	5990	327.2905	5225199
2-hydroxybehenate	Lipid	Fatty Acid, Monohydroxy	57663	LC/MS Neg	100015637	6384	355.3218	193484			HMDB0061660
2-hydroxybutyrate/2-hydroxyisobutyrate	Amino Acid	Glutathione Metabolism	52281	LC/MS Polar	100008928	1258	103.0401	4277439;440864		C21297,C05984	HMDB0000729,HMDB00008
2-hydroxydecanoate	Lipid	Fatty Acid, Monohydroxy	42489	LC/MS Neg	100004089	4840	187.134	21488	5393-81-7		HMDB0094656
2-hydroxyglutarate	Lipid	Fatty Acid, Dicarboxylate	37253	LC/MS Pos Early	100002070	958	131.0339	43	40951-21-1	C02630	HMDB0059655
2-hydroxyheptanoate*	Lipid	Fatty Acid, Monohydroxy	61827	LC/MS Polar	100019960	925	145.087	2750949
2-hydroxyhippurate (salicylurate)	Xenobiotics	Benzoate Metabolism	18281	LC/MS Neg	1869	2184	194.0459	10253	487-54-7	C07588	HMDB0000840
2-hydroxyoctanoate	Lipid	Fatty Acid, Monohydroxy	22036	LC/MS Neg	100000743	3736.8	159.1027	5312860;6995013;94180	617-73-2		HMDB0002264
2-hydroxysebacate	Lipid	Fatty Acid, Dicarboxylate	63357	LC/MS Neg	100020378	1324	217.1081	128458	103963-71-9		HMDB0000424
2-isopropylmalate	Xenobiotics	Food Component/Plant	15667	LC/MS Polar	100000409	2605	175.0612	77	3237-44-3	C02504	HMDB0000402
2-linoleoylglycerol (18:2)	Lipid	Monoacylglycerol	32506	LC/MS Neg	100000987	6250	279.2329	5365676	3443-82-1		HMDB0011538
2-methylbutyrylcarnitine (C5)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	45095	LC/MS Pos Early	100001509	3050	246.17	6426901	31023-25-3		HMDB0000378
2-methylbutyrylglycine (C5)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	31928	LC/MS Neg	100001155	1884	158.0823	193872	52320-67-9		HMDB0000339
2-methylcitrate	Energy	TCA Cycle	37483	LC/MS Neg	90	575	205.0354	12898022	6061-96-7	C02225	HMDB0000379
2-myristoylglycerol (14:0)	Lipid	Monoacylglycerol	34383	LC/MS Neg	100001408	6230	227.2016	137938	27214-38-6		HMDB0011530
2-O-methylascorbic acid	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	63990	LC/MS Polar	100003258	1512	189.0405	54726398	17860-87-6		HMDB0240294
2-oleoylglycerol (18:1)	Lipid	Monoacylglycerol	21232	LC/MS Neg	100000943	6500	281.2486	5319879	3443-84-3		HMDB0011537
2-oxindole-3-acetate	Xenobiotics	Food Component/Plant	40479	LC/MS Pos Early	100003109	2378	192.0655	3080590	2971-31-5		HMDB0035514
2-oxoarginine*	Amino Acid	Urea cycle; Arginine and Proline Metabolism	55072	LC/MS Pos Early	100002784	1760	174.0873	558	10/4/3715	C03771	HMDB0004225
2-palmitoleoyl-GPC* (16:1)*	Lipid	Lysophospholipid	35819	LC/MS Pos Late	100001561	1425	494.3241	122164832			HMDB10383
2-palmitoleoylglycerol (16:1)*	Lipid	Monoacylglycerol	52432	LC/MS Neg	100008953	6016	253.2173	53480960			HMDB0011534
2-palmitoyl-GPC* (16:0)*	Lipid	Lysophospholipid	35253	LC/MS Neg	100001562	6215	570.3413	15061532			HMDB0061702
2-palmitoylglycerol (16:0)	Lipid	Monoacylglycerol	33419	LC/MS Neg	100001048	6400	255.2329	123409	23470-00-0		HMDB0011533
2-stearoyl-GPE (18:0)*	Lipid	Lysophospholipid	41220	LC/MS Neg	100003901	6350	480.3096	90658453;53480667			HMDB0011129
2R,3R-dihydroxybutyrate	Lipid	Fatty Acid, Dihydroxy	63109	LC/MS Polar	100002367	1543	119.035	13120901	759-06-8		HMDB0000498
2S,3R-dihydroxybutyrate	Lipid	Fatty Acid, Dihydroxy	62950	LC/MS Polar	100002284	1660	119.035	10964471	5057-93-2		HMDB0002453
3'-dephospho-CoA-glutathione*	Amino Acid	Glutathione Metabolism	62807	LC/MS Neg	100020899	1690	495.1012
3'-dephosphocoenzyme A	Cofactors and Vitamins	Pantothenate and CoA Metabolism	18289	LC/MS Neg	100000138	2013	686.1416	444485	3633-59-8	C00882	HMDB0001373
3,4-dihydroxybutyrate	Lipid	Fatty Acid, Dihydroxy	62952	LC/MS Polar	100001730	2204	119.035	150929	51267-44-8		HMDB0000337
3-(3-hydroxyphenyl)propionate sulfate	Xenobiotics	Benzoate Metabolism	45415	LC/MS Neg	100005391	1294	245.0125	187488	86321-32-6		HMDB0094710
3-(4-hydroxyphenyl)lactate (HPLA)	Amino Acid	Tyrosine Metabolism	32197	LC/MS Neg	240	1379	181.0506	9378	6482-98-0	C03672	HMDB0000755
3-acetylphenol sulfate	Xenobiotics	Chemical	48693	LC/MS Neg	100004326	2477	215.002
3-amino-2-piperidone	Amino Acid	Urea cycle; Arginine and Proline Metabolism	62853	LC/MS Pos Early	100020361	2065	115.0866	5200225	1892-22-4		HMDB0000323
3-aminoisobutyrate	Nucleotide	Pyrimidine Metabolism, Thymine containing	1566	LC/MS Pos Early	1114	2190	104.0706	64956	10569-72-9;214139-20-5	C05145	HMDB0002166
3-formylindole	Xenobiotics	Food Component/Plant	62863	LC/MS Pos Early	100020219	2736	146.06	10256	487-89-8	C08493	HMDB29737
3-hydroxy-2-methylpyridine sulfate	Xenobiotics	Chemical	63227	LC/MS Neg	100020975	1849	188.0023
3-hydroxy-3-methylglutarate	Lipid	Mevalonate Metabolism	531	LC/MS Polar	112	2850	161.0456	1662;5459993	503-49-1	C03761	HMDB0000355
3-hydroxyadipate	Lipid	Fatty Acid, Dicarboxylate	62069	LC/MS Polar	100004396	3131	161.0455	151913			HMDB0000345
3-hydroxybutyrate (BHBA)	Lipid	Ketone Bodies	542	LC/MS Polar	254	1480	103.0401	441;94318;92135	625-72-9	C03197,C01089	HMDB0000011,HMDB0000357,HMDB0000442
3-hydroxydecanoate	Lipid	Fatty Acid, Monohydroxy	22053	LC/MS Neg	100000997	4634.7	187.134	26612	5561-87-5		HMDB0002203
3-hydroxydecanoylcarnitine	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)	63358	LC/MS Pos Late	100021141	961	332.2432	121454166			HMDB0061636
3-hydroxyhexanoate	Lipid	Fatty Acid, Monohydroxy	53230	LC/MS Neg	100006367	1725	131.0714	151492	10191-24-9		HMDB0061652,HMDB0010718
3-hydroxyhexanoylcarnitine (1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)	62557	LC/MS Pos Early	100020825	2918	276.1806
3-hydroxyisobutyrate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	1549	LC/MS Polar	111	1619	103.0401	11966314	2068-83-9	C01188,C06001	HMDB0000023,HMDB0000336
3-hydroxylaurate	Lipid	Fatty Acid, Monohydroxy	32457	LC/MS Neg	100001112	5175	215.1653	94216	53941-38-1		HMDB0000387
3-hydroxymyristate	Lipid	Fatty Acid, Monohydroxy	21158	LC/MS Neg	100000882	5335	243.1966	16064	3422-31-9
3-hydroxyoctanoate	Lipid	Fatty Acid, Monohydroxy	22001	LC/MS Neg	100000773	3446	159.1027	26613	88930-08-9	C20793	HMDB0001954
3-hydroxyoctanoylcarnitine (1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)	64393	LC/MS Pos Early	100021990	3445	304.2119
3-hydroxyoctanoylcarnitine (2)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)	64394	LC/MS Pos Early	100021991	3497	304.2119
3-hydroxyoleate*	Lipid	Fatty Acid, Monohydroxy	61843	LC/MS Neg	100019966	5508	297.2435
3-hydroxyoleoylcarnitine	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)	61840	LC/MS Pos Late	100019801	1406	442.3527	129637446
3-hydroxypalmitoylcarnitine	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)	61839	LC/MS Pos Late	100019800	1380	416.3371	126456228			HMDB0013336
3-hydroxypyridine sulfate	Xenobiotics	Chemical	48448	LC/MS Neg	100006098	1595.5	173.9867		1955-23-3
3-indoleglyoxylic acid	Xenobiotics	Food Component/Plant	63583	LC/MS Neg	100020372	2140	188.0353	73863	1477-49-2
3-indoxyl sulfate	Amino Acid	Tryptophan Metabolism	27672	LC/MS Neg	100000467	2222.2	212.0023	10258	2642-37-7		HMDB0000682
3-methyl-2-oxobutyrate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	44526	LC/MS Polar	100000936	911	115.0401	49	3715-29-5	C00141	HMDB0000019
3-methyl-2-oxovalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	15676	LC/MS Neg	100000036	2064.2	129.0557	440877;439286	1460-34-0;51829-07-3	C00671,C06008,C03465	HMDB0000491
3-methylcytidine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	35132	LC/MS Pos Early	100001466	2176	258.1085	14237477	21028-20-6		HMDB0240577
3-methylglutaconate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	57747	LC/MS Polar	100002458	2700	99.0452	1551553	5746-90-7		HMDB0000522
3-methylhistidine	Amino Acid	Histidine Metabolism	15677	LC/MS Neg	100000042	906.3	168.0779	64969	368-16-1	C01152	HMDB0000479
3-phenylpropionate (hydrocinnamate)	Xenobiotics	Benzoate Metabolism	15749	LC/MS Neg	100000010	2860	149.0608	107	501-52-0	C05629	HMDB0000764
3-phosphoglycerate	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1414	LC/MS Neg	132	583	184.9857	724	80731-10-8	C00597	HMDB0000807
3-ureidopropionate	Nucleotide	Pyrimidine Metabolism, Uracil containing	3155	LC/MS Pos Early	1053	875	133.0608	111	462-88-4	C02642	HMDB0000026
4-acetamidobutanoate	Amino Acid	Polyamine Metabolism	1558	LC/MS Pos Early	1113	1350	146.0812	18189	3025-96-5	C02946	HMDB0003681
4-acetylphenyl sulfate	Xenobiotics	Benzoate Metabolism	44620	LC/MS Neg	100000711	2375	215.002	4684006
4-cholesten-3-one	Lipid	Sterol	38125	LC/MS Pos Late	100002227	2520	385.3465	91477	601-57-0	C00599	HMDB0000921
4-guanidinobutanoate	Amino Acid	Guanidino and Acetamido Metabolism	15681	LC/MS Pos Early	100000096	2320	146.0924	500	463-003;463-00-3	C01035	HMDB0003464
4-hydroxy-nonenal-glutathione	Amino Acid	Glutathione Metabolism	48487	LC/MS Neg	100006240	3319.2	462.1916	92970719	99927-70-5		HMDB0240578
4-hydroxybutyrate (GHB)	Lipid	Fatty Acid, Monohydroxy	34585	LC/MS Polar	100001507	1765	103.0401	10413	502-85-2	C00989	HMDB0000710
4-hydroxycinnamate sulfate	Amino Acid	Tyrosine Metabolism	48410	LC/MS Neg	100006095	1000	242.9969	6070438	376374-66-2
4-hydroxyglutamate	Amino Acid	Glutamate Metabolism	40499	LC/MS Pos Early	100002544	1141	164.0554	439902	2485-33-8	C03079	HMDB0001344
4-hydroxyhippurate	Xenobiotics	Benzoate Metabolism	35527	LC/MS Neg	100001423	1475	194.0459	151012	2482-25-9		HMDB0013678
4-hydroxyphenylacetate	Amino Acid	Phenylalanine Metabolism	541	LC/MS Neg	144	1361	151.0401	127	156-38-7	C00642	HMDB0000020
4-hydroxyphenylpyruvate	Amino Acid	Tyrosine Metabolism	1669	LC/MS Neg	1141	1690	179.035	979	156-39-8	C01179	HMDB0000707
4-imidazoleacetate	Amino Acid	Histidine Metabolism	32349	LC/MS Pos Early	100001207	2055	127.0502	96215	645-65-8	C02835	HMDB0002024
4-methyl-2-oxopentanoate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	22116	LC/MS Neg	100000551	2170	129.0557	70	816-66-0	C00233	HMDB0000695
4-methylcatechol sulfate	Xenobiotics	Benzoate Metabolism	46146	LC/MS Neg	100004111	2665	203.002	54104170			HMDB0240459
4-vinylphenol sulfate	Xenobiotics	Benzoate Metabolism	36098	LC/MS Neg	100001755	3320	199.0071	6426766	2628-17-3	C05627	HMDB0062775
5,6-dihydrothymine	Nucleotide	Pyrimidine Metabolism, Thymine containing	1418	LC/MS Pos Early	158	1280	129.0659	93556	696-04-8	C00906	HMDB0000079
5,6-dihydrouridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	61833	LC/MS Neg	100001425	1119	245.0779	94312	5/4/5627		HMDB0000497
5-(galactosylhydroxy)-L-lysine	Amino Acid	Lysine Metabolism	43582	LC/MS Pos Early	100002462	2755	325.1606	66995551	32448-36-5
5-aminovalerate	Amino Acid	Lysine Metabolism	18319	LC/MS Pos Early	100000454	2220	118.0863	138	660-88-8	C00431	HMDB0003355
5-dodecenoate (12:1n7)	Lipid	Medium Chain Fatty Acid	33968	LC/MS Neg	100001232	5224	197.1547	5312378	2430-94-6		HMDB0000529
5-dodecenoylcarnitine (C12:1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	61769	LC/MS Pos Late	100016069	1135	342.2639	91825571			HMDB13326
5-HETE	Lipid	Eicosanoid	37372	LC/MS Neg	100002137	5382	319.2279	5280733	73307-52-5	C04805	HMDB0011134
5-hydroxylysine	Amino Acid	Lysine Metabolism	15685	LC/MS Pos Early	100000054	2790	163.1077	3032849	13204-98-3	C16741	HMDB0000450
5-methyl-2'-deoxycytidine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	38159	LC/MS Neg	100002300	1781	240.099	440055	838-07-3	C03592	HMDB0002224
5-methylcytidine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	22119	LC/MS Pos Early	100000763	2227	258.1085	92918	2140-61-6		HMDB0000982
5-methylthioadenosine (MTA)	Amino Acid	Polyamine Metabolism	1419	LC/MS Pos Early	212	2752	298.0968	439176	2457-80-9	C00170	HMDB0001173
5-methyluridine (ribothymidine)	Nucleotide	Pyrimidine Metabolism, Uracil containing	35136	LC/MS Neg	100001446	1778.1	257.0779	445408	1463-10-1		HMDB0000884
5-oxoproline	Amino Acid	Glutathione Metabolism	1494	LC/MS Neg	1021	738.5	128.0353	439685;7405	98-79-3	C01879,C02237	HMDB0000267
6-beta-hydroxylithocholate	Lipid	Secondary Bile Acid Metabolism	36807	LC/MS Neg	100001625	4830	391.2854	5283821	668-49-5	C15515	HMDB0000811
6-keto prostaglandin F1alpha	Lipid	Eicosanoid	20476	LC/MS Pos Late	100000571	926	353.2323	5280888	58961-34-8;58962-34-8	C05961	HMDB0002886
6-phosphogluconate	Carbohydrate	Pentose Phosphate Pathway	15442	LC/MS Neg	100000341	583.9	275.0174	91493	921-62-0;53411-70-4	C00345	HMDB0001316
7-ketodeoxycholate	Lipid	Secondary Bile Acid Metabolism	31904	LC/MS Neg	100001063	4821	405.2646	188292	911-40-0		HMDB0000391
7-methylguanine	Nucleotide	Purine Metabolism, Guanine containing	35114	LC/MS Pos Early	100001456	2175	166.0723	135398679	578-76-7	C02242	HMDB0000897
8-hydroxyoctanoate	Lipid	Fatty Acid, Monohydroxy	21239	LC/MS Neg	100000956	2300	159.1027	69820	764-89-6		HMDB0061914
acetyl-CoA	Lipid	Fatty Acid Metabolism	43840	LC/MS Neg	1830	1691	403.5556	444493	102029-73-2	C00024	HMDB0001206
acetylcarnitine (C2)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Short Chain)	32198	LC/MS Pos Early	100000802	2282	204.123	7045767	5080-50-2	C02571	HMDB0000201
acetylphosphate	Energy	Oxidative Phosphorylation	15488	LC/MS Polar	1211	4013.9	138.9802	186	94249-01-1	C00227	HMDB0001494
adenine	Nucleotide	Purine Metabolism, Adenine containing	554	LC/MS Pos Early	880	2221	136.0618	190	73-24-5	C00147	HMDB0000034
adenosine	Nucleotide	Purine Metabolism, Adenine containing	555	LC/MS Pos Early	798	2169	268.104	60961	58-61-7	C00212	HMDB0000050
2'-AMP	Nucleotide	Purine Metabolism, Adenine containing	36815	LC/MS Neg	100001694	1497.7	346.0558	94136	130-49-4	C00946	HMDB0011617
adenosine 3',5'-cyclic monophosphate (cAMP)	Nucleotide	Purine Metabolism, Adenine containing	2831	LC/MS Neg	207	1952.2	328.0452	6076	60-92-4	C00575	HMDB0000058
adenosine 3',5'-diphosphate	Nucleotide	Purine Metabolism, Adenine containing	15691	LC/MS Neg	1214	575	426.0221	159296	75431-54-8	C00054	HMDB0000061
3'-AMP	Nucleotide	Purine Metabolism, Adenine containing	35142	LC/MS Neg	100001449	1245	346.0558	41211	84-21-9	C01267	HMDB0003540
ADP	Nucleotide	Purine Metabolism, Adenine containing	3108	LC/MS Polar	208	4393	426.0221	6022	20398-34-9	C00008	HMDB0001341
adenosine 5'-diphosphoribose (ADP-ribose)	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	558	LC/MS Pos Early	215	553	560.079	192	68414-18-6	C00301	HMDB0001178
AMP	Nucleotide	Purine Metabolism, Adenine containing	32342	LC/MS Pos Early	209	1013	348.0704	6083	149022-20-8	C00020	HMDB0000045
ATP	Nucleotide	Purine Metabolism, Adenine containing	33449	LC/MS Neg	210	631	505.9885	5957	34369-07-8;51963-61-2	C00002	HMDB0000538
adenylosuccinate	Nucleotide	Purine Metabolism, Adenine containing	57838	LC/MS Neg	1303	560	462.0668	440122	19046-78-7	C03794	HMDB0000536
adrenate (22:4n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	32980	LC/MS Neg	100001193	5678	331.2643	5497181;5282844	2091-25-0	C16527	HMDB0002226
adrenoylcarnitine (C22:4)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57528	LC/MS Pos Late	100015850	1415	476.3734
AICA ribonucleotide	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	38325	LC/MS Pos Early	216	797	339.0701	65110	3031-94-5	C04677	HMDB0001517
alanine	Amino Acid	Alanine and Aspartate Metabolism	1126	LC/MS Pos Early	811	1700	90.055	5950	56-41-7	C00041	HMDB0000161
alanylleucine	Peptide	Dipeptide	37093	LC/MS Pos Early	100001890	3055	203.139	259583	1638-60-4		HMDB0028691
allantoic acid	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	33434	LC/MS Polar	218	2960	175.0473	203	99-16-1	C00499	HMDB0001209
allantoin	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	1107	LC/MS Polar	1002	1672	157.0367	204;439714;439713	97-59-6	C02350,C02348,C01551	HMDB0000462
alpha-hydroxyisocaproate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	22132	LC/MS Neg	100000706	1840	131.0714	92779;83697;439960	10303-64-7	C03264	HMDB0000665,HMDB0000624,HMDB00746
alpha-hydroxyisovalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	46537	LC/MS Polar	100001300	1052	117.0557	99823	600-37-3		HMDB0000407
alpha-ketoglutarate	Energy	TCA Cycle	528	LC/MS Polar	93	2700	145.0143	51	305-72-6;328-50-7;22202-68-2	C00026	HMDB0000208
alpha-muricholate	Lipid	Primary Bile Acid Metabolism	34092	LC/MS Neg	100001280	4765	407.2803	53477700	2393-58-0	C17647	HMDB0000506
alpha-tocopherol	Cofactors and Vitamins	Tocopherol Metabolism	1561	LC/MS Pos Late	1105	2522	430.3782	86472	59-02-9;10191-41-0	C02477	HMDB0001893
anserine	Amino Acid	Histidine Metabolism	15747	LC/MS Pos Early	100000044	2924	241.1295	112072	10030-52-1	C01262	HMDB0000194
arabitol/xylitol	Carbohydrate	Pentose Metabolism	48885	LC/MS Polar	100006430	1932.4	151.0612	6912;94154		C00542,C01904,C00379	HMDB0002917,HMDB0001851,HMDB0000568
arabonate/xylonate	Carbohydrate	Pentose Metabolism	48255	LC/MS Polar	100006115	2700	165.0405	122045;6602431		C00502,C05411	HMDB0000539
arachidate (20:0)	Lipid	Long Chain Saturated Fatty Acid	1118	LC/MS Neg	893	6240	311.2956	10467	506-30-9	C06425	HMDB0002212
arachidonate (20:4n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1110	LC/MS Neg	229	5535	303.233	444899	506-32-1	C00219	HMDB0001043
arachidonoylcarnitine (C20:4)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57518	LC/MS Pos Late	100015837	1353	448.3422	136212424			HMDB0006455
arachidoylcarnitine (C20)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	57513	LC/MS Pos Late	100015833	1512	456.4047	53477833			HMDB0006460
argininate*	Amino Acid	Urea cycle; Arginine and Proline Metabolism	57461	LC/MS Pos Early	100002769	2150	176.103	160437	157-07-3		HMDB0003148
arginine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	1638	LC/MS Pos Early	231	2825	175.119	6322	1119-34-2	C00062	HMDB0000517
argininosuccinate	Amino Acid	Urea cycle; Arginine and Proline Metabolism	15497	LC/MS Pos Early	232	2745	291.1299	60150382	156637-58-0	C03406	HMDB0000052
ascorbate (Vitamin C)	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	32354	LC/MS Pos Early	233	770	177.0394	54670067	134-03-2	C00072,D00018	HMDB0000044
ascorbic acid 2-sulfate	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	63590	LC/MS Polar	100009329	3042	254.9816	54676864			HMDB0060649
ascorbic acid 3-sulfate*	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	63687	LC/MS Polar	100020409	2025	254.9815	11425365
asparagine	Amino Acid	Alanine and Aspartate Metabolism	512	LC/MS Pos Early	917	1225	133.0608	6267	70-47-3	C00152	HMDB0000168
aspartate	Amino Acid	Alanine and Aspartate Metabolism	443	LC/MS Pos Early	234	1165	134.0448	5960	56-84-8	C00049	HMDB0000191
azelate (C9-DC)	Lipid	Fatty Acid, Dicarboxylate	18362	LC/MS Neg	2029	1276	187.0976	2266	123-99-9	C08261	HMDB0000784
behenoyl dihydrosphingomyelin (d18:0/22:0)*	Lipid	Dihydrosphingomyelins	57331	LC/MS Pos Late	100009026	3300	789.6844	44260132			HMDB0012091
behenoyl sphingomyelin (d18:1/22:0)*	Lipid	Sphingomyelins	48492	LC/MS Pos Late	100006294	3250	787.6688	44260125			HMDB0012103
behenoylcarnitine (C22)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	57514	LC/MS Pos Late	100015832	1561	484.436	71464577			HMDB0062468
benzoate	Xenobiotics	Benzoate Metabolism	15778	LC/MS Neg	100000008	1750	121.0295	243	65-85-0	C00180	HMDB0001870
beta-alanine	Nucleotide	Pyrimidine Metabolism, Uracil containing	55	LC/MS Pos Early	244	1905	90.055	239	56-41-7;107-95-9	C00099	HMDB0000056
beta-citrylglutamate	Amino Acid	Glutamate Metabolism	54923	LC/MS Polar	100003271	4400	320.0629	189741	73590-26-8	C20775
beta-hydroxyisovalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	12129	LC/MS Polar	1442	1149.8	117.0557	69362	625-08-1		HMDB0000754
beta-hydroxyisovaleroylcarnitine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	35433	LC/MS Pos Early	100001594	2584	262.1649		99159-87-2
beta-muricholate	Lipid	Primary Bile Acid Metabolism	31885	LC/MS Neg	100001066	4794	407.2803	5283853	2393-59-1	C17726	HMDB0000415
betaine	Amino Acid	Glycine, Serine and Threonine Metabolism	3141	LC/MS Pos Early	799	1064	118.0863	247	107-43-7	C00719	HMDB0000043
betonicine	Xenobiotics	Food Component/Plant	38100	LC/MS Pos Early	100002153	1012	160.0968	164642	515-25-3	C08269	HMDB0029412
bilirubin	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	43807	LC/MS Pos Late	1090	1840	585.2708	5280352	635-65-4	C00486	HMDB0000054
biliverdin	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	2137	LC/MS Pos Late	250	1016	583.2551	5280353	55482-27-4;55482-27-4	C00500	HMDB0001008
biopterin	Cofactors and Vitamins	Tetrahydrobiopterin Metabolism	12358	LC/MS Neg	1548	1398	236.0789	445040	22150-76-1	C06313	HMDB0000468
branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*	Partially Characterized Molecules	Partially Characterized Molecules	63683	LC/MS Neg	100021709	5261	197.1546
butenoylcarnitine (C4:1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	61778	LC/MS Pos Early	100016058	2765	230.1387
butyrate/isobutyrate (4:0)	Lipid	Short Chain Fatty Acid	40605	LC/MS Neg	1143	1062	87.0452	264	109-92-6	C00246	HMDB0000039
butyrylcarnitine (C4)	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	32412	LC/MS Pos Early	100001054	2860	232.1543	439829	25576-40-3	C02862	HMDB0002013
butyrylglycine (C4)	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	31850	LC/MS Neg	100001151	1470	144.0666	88412	20208-73-5		HMDB0000808
C-glycosyltryptophan	Amino Acid	Tryptophan Metabolism	48782	LC/MS Pos Early	100006379	2700	367.15	10981970	180509-18-6		HMDB0240296
caprate (10:0)	Lipid	Medium Chain Fatty Acid	1642	LC/MS Neg	888	5090.7	171.1391	2969	334-48-5	C01571	HMDB0000511
caproate (6:0)	Lipid	Medium Chain Fatty Acid	32489	LC/MS Neg	926	2713.7	115.0765	8892	142-62-1	C01585	HMDB0000535
caprylate (8:0)	Lipid	Medium Chain Fatty Acid	32492	LC/MS Neg	932	4362	143.1078	379	124-07-2	C06423	HMDB0000482
carboxyethyl-GABA	Amino Acid	Glutamate Metabolism	40007	LC/MS Pos Early	100003260	2085	176.0917	2572	3/2/4386		HMDB0002201
carnitine	Lipid	Carnitine Metabolism	15500	LC/MS Pos Early	100000007	1978	162.1125	288	461-05-2	C00487,C00308	HMDB0000062
carnosine	Amino Acid	Histidine Metabolism	1768	LC/MS Pos Early	249	2942	227.1139	439224	305-84-0	C00386	HMDB0000033
catechol sulfate	Xenobiotics	Benzoate Metabolism	35320	LC/MS Neg	100001605	1906	188.9863	3083879	4918-96-1		HMDB0059724
ceramide (d18:1/14:0, d16:1/16:0)*	Lipid	Ceramides	57432	LC/MS Pos Late	100015735	2477	510.4881
ceramide (d18:1/17:0, d17:1/18:0)*	Lipid	Ceramides	57434	LC/MS Pos Late	100015737	3055	552.5351
ceramide (d18:2/24:1, d18:1/24:2)*	Lipid	Ceramides	57443	LC/MS Pos Late	100015744	3858	646.6133
chenodeoxycholate	Lipid	Primary Bile Acid Metabolism	1563	LC/MS Neg	1123	5264	391.2854	10133	474-24-9;474-25-9	C02528	HMDB0000518
chiro-inositol	Lipid	Inositol Metabolism	37112	LC/MS Polar	100001859	3191.2	225.0616		643-12-9	C19891	HMDB0240209
cholate	Lipid	Primary Bile Acid Metabolism	22842	LC/MS Neg	136	5165	407.2803	221493	81-25-4	C00695	HMDB0000619
cholate sulfate	Lipid	Primary Bile Acid Metabolism	52973	LC/MS Neg	100006637	4557	243.1149
cholesterol	Lipid	Sterol	63	LC/MS Pos Late	266	2707	369.3516	6432564;11025495;5997	57-88-5	C00187	HMDB0000067
cholesterol sulfate	Lipid	Sterol	35324	LC/MS Polar	100001606	681	465.3043	65076	2864-50-8	C18043	HMDB00653
choline	Lipid	Phospholipid Metabolism	15506	LC/MS Pos Early	1256	1961	104.107	305	67-48-1	C00114	HMDB0000097
phosphocholine	Lipid	Phospholipid Metabolism	34396	LC/MS Pos Early	267	700	184.0733	1014	72556-74-2	C00588	HMDB0001565
cinnamoylglycine	Xenobiotics	Food Component/Plant	38637	LC/MS Neg	100002253	3127	204.0666	709625	16534-24-0		HMDB0011621
cis-3,4-methyleneheptanoylcarnitine	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	64389	LC/MS Pos Late	100021728	845	286.2013
cis-4-decenoate (10:1n6)*	Lipid	Medium Chain Fatty Acid	62873	LC/MS Neg	100002796	4890	169.1234	5282726	505-90-8		HMDB0004980
cis-4-decenoylcarnitine (C10:1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	38178	LC/MS Pos Late	100002259	1057	314.2326	57357170	98930-66-6		HMDB0013205
citraconate/glutaconate	Energy	TCA Cycle	47076	LC/MS Polar	100006438	2600	129.0194	643798;5280498		C02226,C02214	HMDB0000620,HMDB0000634
citrate	Energy	TCA Cycle	1564	LC/MS Neg	1124	582	191.0197	311	77-92-9	C00158	HMDB0000094
citrulline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	2132	LC/MS Pos Early	391	1520	176.103	9750	372-75-8	C00327	HMDB0000904
CoA-glutathione*	Amino Acid	Glutathione Metabolism	62804	LC/MS Neg	269	1326	535.0844	46873828	6477-52-7	C00920
CoA	Cofactors and Vitamins	Pantothenate and CoA Metabolism	46322	LC/MS Neg	270	1448	382.5503	87642	85-61-0;18439-24-2	C00010	HMDB0001423
corticosterone	Lipid	Corticosteroids	5983	LC/MS Neg	272	5040	345.2071	5753	50-22-6	C02140	HMDB0001547
creatine	Amino Acid	Creatine Metabolism	27718	LC/MS Pos Early	1221	1947	132.0768	586	57-00-1	C00300	HMDB0000064
creatine phosphate	Amino Acid	Creatine Metabolism	33951	LC/MS Polar	100000112	3831	210.0285	587;9548602	922-32-7	C02305	HMDB0001511
creatinine	Amino Acid	Creatine Metabolism	513	LC/MS Pos Early	275	2055	114.0662	588	60-27-5	C00791	HMDB0000562
cystathionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	15705	LC/MS Pos Early	310	2270	223.0747	439258	535-34-2	C02291	HMDB0000099
cysteine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	1868	LC/MS Pos Early	800	1475	122.027	5862	52-90-4;56-89-3	C00097	HMDB0000574
cysteine-glutathione disulfide	Amino Acid	Glutathione Metabolism	35159	LC/MS Polar	100001437	4600	425.0806	3080690	13081-14-6	R00900	HMDB0000656
cysteinylglycine	Amino Acid	Glutathione Metabolism	35637	LC/MS Pos Early	278	2132	179.0485	439498	19246-18-5	C01419	HMDB0000078
cytidine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	514	LC/MS Pos Early	827	2124	244.0928	6175	65-46-3	C00475	HMDB0000089
CDP-choline	Lipid	Phospholipid Metabolism	34418	LC/MS Pos Early	1220	725	489.1146	13804	33818-15-4	C00307	HMDB0001413
CMP	Nucleotide	Pyrimidine Metabolism, Cytidine containing	2372	LC/MS Pos Early	282	835	324.0591	6131	63-37-6	C00055	HMDB0000095
cytidine 5'-monophospho-N-acetylneuraminic acid	Carbohydrate	Nucleotide Sugar	36831	LC/MS Neg	1223	650	613.14	448209	3063-71-6	C00128	HMDB0001176
cytidine diphosphate	Nucleotide	Pyrimidine Metabolism, Cytidine containing	2841	LC/MS Neg	280	580	402.0109	6132	34393-59-4	C00112	HMDB0001546
cytidine triphosphate	Nucleotide	Pyrimidine Metabolism, Cytidine containing	2844	LC/MS Neg	281	575	481.9772	6176	36051-68-0	C00063	HMDB0000082
CDP-ethanolamine	Lipid	Phospholipid Metabolism	34410	LC/MS Polar	100001407	4210	445.0531	123727	72842-05-8	C00570	HMDB0001564
cytosine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	573	LC/MS Pos Early	881	2060	112.0505	597	71-30-7	C00380	HMDB0000630
daidzein	Xenobiotics	Food Component/Plant	32453	LC/MS Neg	100001219	3566	253.0506	5281708	486-66-8	C10208	HMDB0003312
daidzein sulfate (2)	Xenobiotics	Food Component/Plant	48728	LC/MS Neg	100006363	3330	333.0076	12114465
decanoylcarnitine (C10)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	33941	LC/MS Pos Late	100001251	1130	316.2482	10245190	1492-27-9		HMDB0000651
dehydroascorbate	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	1659	LC/MS Polar	301	1130	173.0092	440667	490-83-5	C05422	HMDB0001264
deoxycarnitine	Lipid	Carnitine Metabolism	36747	LC/MS Pos Early	100001662	2052	146.1176	22620	6249-56-5	C01181	HMDB0001161
deoxycholate	Lipid	Secondary Bile Acid Metabolism	1114	LC/MS Neg	302	5294	391.2854	222528;440355	83-44-3	C04483	HMDB0000626
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*	Lipid	Diacylglycerol	54966	LC/MS Pos Late	100010940	2733	608.5249
dihomolinoleate (20:2n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	17805	LC/MS Neg	1231	5730	307.2643	6439848	2091-39-6	C16525	HMDB0005060
dihomolinolenate (20:3n3 or 3n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	35718	LC/MS Neg	100001739	5596	305.2486	5280581	17046-59-2	C03242	HMDB0002925
dihomo-linolenoylcarnitine (C20:3n3 or 6)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57521	LC/MS Pos Late	100015840	1392	450.3578
dihomo-linoleoylcarnitine (C20:2)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57520	LC/MS Pos Late	100015839	1436	452.3734
dihydroxyacetone phosphate (DHAP)	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	15522	LC/MS Pos Early	309	539	171.0053	668	102783-56-2	C00111	HMDB0001473
dimethyl sulfone	Xenobiotics	Chemical	43424	LC/MS Pos Early	100004284	832	95.0161	6213	67-71-0	C11142	HMDB0004983
dimethylarginine (ADMA + SDMA)	Amino Acid	Urea cycle; Arginine and Proline Metabolism	36808	LC/MS Pos Early	100001810	2850	203.1503	123831;169148	102783-24-4	C21189,C03626	HMDB0003334,HMDB0001539
dimethylglycine	Amino Acid	Glycine, Serine and Threonine Metabolism	5086	LC/MS Pos Early	806	1104	104.0706	673	1118-68-9	C03626	HMDB0000092
docosadienoate (22:2n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	32415	LC/MS Neg	100001182	6034	335.2956	5282807	7370-49-2	C16533	HMDB0061714
docosadienoylcarnitine (C22:2)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57526	LC/MS Pos Late	100015848	1493	480.4047	71464511
docosahexaenoate (DHA; 22:6n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	44675	LC/MS Neg	100000665	5525	327.233	445580	6217-54-5	C06429	HMDB0002183
docosahexaenoylcarnitine (C22:6)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57523	LC/MS Pos Late	100015845	1349	472.3422
docosapentaenoate (DPA; 22:5n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	32504	LC/MS Neg	100001181	5571	329.2486	6441454	2234-74-4	C16513	HMDB0001976,HMDB0006528
docosapentaenoate (n6 DPA; 22:5n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	37478	LC/MS Neg	100001580	5624.5	329.2486	6441454	25182-74-5	C16513	HMDB0001976
docosapentaenoylcarnitine (C22:5n3)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57529	LC/MS Pos Late	100015851	1387	474.3578	71464594
docosatrienoate (22:3n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	32417	LC/MS Neg	100001195	5823	333.2799	5312556	59708-86-0	C16534	HMDB0002823
docosatrienoate (22:3n6)*	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	57467	LC/MS Neg	100015762	5850	333.2799	75955220
docosatrienoylcarnitine (C22:3)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57527	LC/MS Pos Late	100015849	1460	478.3891
dodecadienoate (12:2)*	Lipid	Fatty Acid, Dicarboxylate	62276	LC/MS Neg	100020478	5146	195.1391	25480
dodecanedioate (C12)	Lipid	Fatty Acid, Dicarboxylate	32388	LC/MS Neg	100001102	2990	229.1445	12736	693-23-2	C02678	HMDB0000623
eicosanoylsphingosine (d20:1)*	Lipid	Sphingosines	57597	LC/MS Pos Late	100015870	1443	328.321
eicosapentaenoate (EPA; 20:5n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	18467	LC/MS Neg	2050	5450	301.2173	446284	10-2005-9;10417-94-4	C06428	HMDB0001999
eicosenoate (20:1n9 or 1n11)	Lipid	Long Chain Monounsaturated Fatty Acid	33587	LC/MS Neg	100001335	5950	309.2799	5282769;5282768;94159		C16526	HMDB0002231,HMDB0062436
eicosenoylcarnitine (C20:1)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	57519	LC/MS Pos Late	100015838	1484	454.3891
enterolactone sulfate	Xenobiotics	Food Component/Plant	64041	LC/MS Neg	100020407	3746	377.07				HMDB0240506,HMDB0240505
equol	Xenobiotics	Food Component/Plant	36774	LC/MS Neg	100001725	4565	241.087	91469	531-95-3;94105-90-5	C14131	HMDB0002209
equol glucuronide	Xenobiotics	Food Component/Plant	41948	LC/MS Neg	100003895	3215	417.1191	46781484
equol sulfate	Xenobiotics	Food Component/Plant	40478	LC/MS Neg	100003429	3630	321.0438
ergothioneine	Xenobiotics	Food Component/Plant	37459	LC/MS Pos Early	100002154	850	230.0958	5351619	58511-63-0	C05570	HMDB0003045
erucate (22:1n9)	Lipid	Long Chain Monounsaturated Fatty Acid	1552	LC/MS Neg	1087	6355.6	337.3112	8216;5281116	112-86-7	C08316	HMDB0002068
erucoylcarnitine (C22:1)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	57525	LC/MS Pos Late	100015841	1535	482.4204
erythritol	Xenobiotics	Food Component/Plant	20699	LC/MS Polar	100000846	1491	167.0561	222285	149-32-6	C00503	HMDB0002994
erythronate*	Carbohydrate	Aminosugar Metabolism	42420	LC/MS Polar	100001320	2186	135.0299	2781043	88759-55-1		HMDB0000613
ethyl beta-glucopyranoside	Xenobiotics	Food Component/Plant	64131	LC/MS Neg	100020377	1519	207.0874	121667			HMDB0029968
ethylmalonate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	15765	LC/MS Polar	2054	2785	131.035	11756	601-75-2		HMDB0000622
ferulic acid 4-sulfate	Xenobiotics	Food Component/Plant	47114	LC/MS Neg	100005389	1200	273.0074	6305574	86321-29-1		HMDB0029200
FAD	Cofactors and Vitamins	Riboflavin Metabolism	2134	LC/MS Neg	327	2425	784.1499	643975	146-14-5;84366-81-4	C00016	HMDB0001248
FMN	Cofactors and Vitamins	Riboflavin Metabolism	15797	LC/MS Neg	100000251	2390	455.0973	643976	130-40-5	C00061	HMDB0001520
formiminoglutamate	Amino Acid	Histidine Metabolism	43493	LC/MS Pos Early	100002500	1880	175.0713	439233	816-90-0	C00439	HMDB0000854
fructose	Carbohydrate	Fructose, Mannose and Galactose Metabolism	577	LC/MS Polar	878	2065	179.0561	2723872	57-48-7	C00095	HMDB0000660
Isobar: hexose diphosphates	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	46896	LC/MS Neg	100002180	551	338.989	10404962;3934;90658350;124383956;4453;445557;718;82400		C05378,C00354,C01231	HMDB0003514,HMDB0001058
fructosyllysine	Amino Acid	Lysine Metabolism	46227	LC/MS Pos Early	100005373	2784	309.1656	9839580	21291-40-7		HMDB0034879
fumarate	Energy	TCA Cycle	1643	LC/MS Polar	330	3084	115.0037	444972	100-17-8	C00122	HMDB0000134
galactitol (dulcitol)	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1117	LC/MS Polar	1003	2360	181.0718	11850	608-66-2	C01697	HMDB0000107
galactonate	Carbohydrate	Fructose, Mannose and Galactose Metabolism	27719	LC/MS Polar	100001026	3085	195.051	12310779;128869	299-28-5	C15930,C00880	HMDB0000565
galactose 1-phosphate	Carbohydrate	Fructose, Mannose and Galactose Metabolism	15706	LC/MS Polar	100000300	4552	259.0224	123912	19046-60-7	C00446	HMDB0000645
galacturonate 1-phosphate	Xenobiotics	Food Component/Plant	38588	LC/MS Neg	100002678	580	273.0017	440203	103192-54-7	C04037
gamma-glutamyl-alpha-lysine	Peptide	Gamma-glutamyl Amino Acid	55015	LC/MS Pos Early	100010901	2784	276.1554	65254
gamma-glutamyl-epsilon-lysine	Peptide	Gamma-glutamyl Amino Acid	33934	LC/MS Pos Early	100001262	2725	276.1554	7015685	17105-15-6		HMDB0003869
gamma-glutamylcysteine	Peptide	Gamma-glutamyl Amino Acid	1778	LC/MS Pos Early	1036	2118	251.0696	123938	636-58-8	C00669	HMDB0001049
gamma-glutamylglutamate	Peptide	Gamma-glutamyl Amino Acid	36738	LC/MS Pos Early	331	1775	277.103	92865	1116-22-9	C05282	HMDB0011737
gamma-glutamylglutamine	Peptide	Gamma-glutamyl Amino Acid	2730	LC/MS Pos Early	1140	1430	276.119	150914	10148-81-9	C05283	HMDB0011738
gamma-glutamylglycine	Peptide	Gamma-glutamyl Amino Acid	33949	LC/MS Pos Early	100001294	1535	205.0819	100099	1948-29-4		HMDB0011667
gamma-glutamylhistidine	Peptide	Gamma-glutamyl Amino Acid	18245	LC/MS Pos Early	1235	2740	285.1194	7017195	37460-15-4		HMDB0029151
gamma-glutamylleucine	Peptide	Gamma-glutamyl Amino Acid	18369	LC/MS Pos Early	1268	2991	261.1445	151023	2566-39-4		HMDB0011171
gamma-glutamylmethionine	Peptide	Gamma-glutamyl Amino Acid	44872	LC/MS Pos Early	100001313	2640	279.1009	7009567	17663-87-5		HMDB0029155
gamma-glutamylphenylalanine	Peptide	Gamma-glutamyl Amino Acid	33422	LC/MS Neg	100000491	1825	293.1143	111299	7432-24-8		HMDB0000594
gamma-glutamylserine	Peptide	Gamma-glutamyl Amino Acid	54914	LC/MS Pos Early	100009231	1351	235.0925	22844748	5875-35-4		HMDB0029158
gamma-glutamylthreonine	Peptide	Gamma-glutamyl Amino Acid	33364	LC/MS Pos Early	100001314	1750	249.1081	76078708	5652-48-2		HMDB0029159
gamma-glutamyltryptophan	Peptide	Gamma-glutamyl Amino Acid	33947	LC/MS Neg	100001295	1960	332.1252	3989307	66471-20-3		HMDB0029160
gamma-glutamyltyrosine	Peptide	Gamma-glutamyl Amino Acid	2734	LC/MS Neg	1102	1240	309.1092	94340	7432-23-7		HMDB0011741
gamma-glutamylvaline	Peptide	Gamma-glutamyl Amino Acid	43829	LC/MS Pos Early	100001126	2700	247.1289	7015683	2746-34-1		HMDB0011172
genistein	Xenobiotics	Food Component/Plant	32448	LC/MS Neg	100001221	3754	269.0455	5280961	446-72-0	C06563	HMDB0003217
genistein sulfate*	Xenobiotics	Food Component/Plant	62061	LC/MS Neg	100020207	3616	349.0024
gluconate	Xenobiotics	Food Component/Plant	587	LC/MS Polar	338	2922	195.051	3085666;10690	527-07-1	C00257	HMDB0000625
glucosamine-6-phosphate	Carbohydrate	Aminosugar Metabolism	580	LC/MS Polar	290	4521.5	258.0384	440997	3616-42-0	C00352	HMDB0001254
glucose	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	48152	LC/MS Polar	572	2342	225.0616	5793	50-99-7	C00031	HMDB0000122
glucose 6-phosphate	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	31260	LC/MS Polar	291	4537	259.0224	5958	103192-55-8	C00092	HMDB0001401
glucuronate	Carbohydrate	Aminosugar Metabolism	15443	LC/MS Polar	100000257	3233.3	193.0354	441478;94715;23677976;65041;444791	207300-70-7	C16245	HMDB0000127
glutamate	Amino Acid	Glutamate Metabolism	57	LC/MS Pos Early	561	1500	148.0604	33032	56-86-0	C00025,C00217	HMDB0000148
glutamate, gamma-methyl ester	Amino Acid	Glutamate Metabolism	33487	LC/MS Pos Early	100001103	2170	162.0761	68662	1499-55-4;1499-55-4		HMDB0061715
glutamine	Amino Acid	Glutamate Metabolism	53	LC/MS Pos Early	563	1291	147.0764	5961	56-85-9	C00064	HMDB0000641
glutarate (C5-DC)	Lipid	Fatty Acid, Dicarboxylate	396	LC/MS Polar	339	2900	131.035	743;4418048	110-94-1	C00489	HMDB0000661
glutarylcarnitine (C5-DC)	Amino Acid	Lysine Metabolism	44664	LC/MS Pos Early	100001593	2393	276.1442	71317118	102636-82-8		HMDB0013130
glutathione, oxidized (GSSG)	Amino Acid	Glutathione Metabolism	27727	LC/MS Pos Early	448	2667	613.1593	65359	103239-24-3	D00031,C00127	HMDB0003337
glutathione, reduced (GSH)	Amino Acid	Glutathione Metabolism	2127	LC/MS Pos Early	496	2000	308.0911	124886	70-18-8	D00014,C00051	HMDB0000125
glycerate	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	1572	LC/MS Polar	1052	2070.4	105.0193	752;439194	600-19-1	C00258	HMDB0006372,HMDB0000139
glycerol	Lipid	Glycerolipid Metabolism	15122	LC/MS Neg	1254	758	91.0401	753	56-81-5	C00116	HMDB0000131
glycerol 3-phosphate	Lipid	Glycerolipid Metabolism	43847	LC/MS Pos Early	100000258	580	173.021	754	29849-82-9	C0093	HMDB0000126
glycerophosphoethanolamine	Lipid	Phospholipid Metabolism	37455	LC/MS Polar	100001620	3075	214.0486	123874	33049-08-0	C01233	HMDB0000114
glycerophosphoglycerol	Lipid	Glycerolipid Metabolism	48857	LC/MS Polar	100001619	2430	245.0432	54575349		C03274	HMDB0240316
glycerophosphoinositol*	Lipid	Phospholipid Metabolism	52307	LC/MS Pos Early	100001621	516	335.0738	167572	16824-65-0
glycerophosphorylcholine (GPC)	Lipid	Phospholipid Metabolism	15990	LC/MS Pos Early	100000269	672	258.1101	71920	28319-77-9	C00670	HMDB0000086
glycerophosphoserine*	Lipid	Phospholipid Metabolism	57404	LC/MS Pos Early	100015666	577	260.053	3081457
glycine	Amino Acid	Glycine, Serine and Threonine Metabolism	58	LC/MS Pos Early	340	1375	76.0393	750	56-40-6	C00037	HMDB0000123
glycine conjugate of C6H10O2 (2)*	Partially Characterized Molecules	Partially Characterized Molecules	63653	LC/MS Neg	100021680	2432	170.0823
glycine conjugate of C6H10O2 (3)*	Partially Characterized Molecules	Partially Characterized Molecules	63654	LC/MS Neg	100021681	2476	170.0823
glycitein sulfate (2)	Xenobiotics	Food Component/Plant	62887	LC/MS Neg	100021092	3400	363.018
glycocholate	Lipid	Primary Bile Acid Metabolism	18476	LC/MS Neg	342	5163	464.3018	10140	475-31-0;863-57-0	C01921	HMDB0000138
glycosyl-N-arachidoyl-sphingosine (d18:1/20:0)*	Lipid	Hexosylceramides (HCER)	57423	LC/MS Pos Late	100015714	3432	756.6348	6321358			HMDB0004973
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	Lipid	Hexosylceramides (HCER)	53013	LC/MS Pos Late	100009272	2623	700.5722
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	Lipid	Hexosylceramides (HCER)	52234	LC/MS Pos Late	100001882	3053	728.6035
glycosyl-N-tetracosadienoyl-sphingosine (d18:1/24:2)*	Lipid	Hexosylceramides (HCER)	57452	LC/MS Pos Late	100015703	3380	808.6661
glycylisoleucine	Peptide	Dipeptide	36659	LC/MS Neg	100001790	1820	187.1088	259613	19461-38-2		HMDB0028844
glycylleucine	Peptide	Dipeptide	34398	LC/MS Pos Early	100001258	3059	189.1234	92843	869-19-2	C02155	HMDB0000759
glycylvaline	Peptide	Dipeptide	18357	LC/MS Pos Early	100000487	2734	175.1077	2724807	1963-21-9		HMDB0028854
guaiacol sulfate	Xenobiotics	Benzoate Metabolism	46111	LC/MS Neg	100004208	2344	203.002	22473			HMDB0060013
guanidinoacetate	Amino Acid	Creatine Metabolism	43802	LC/MS Pos Early	344	1937	118.0611	763	352-97-6	C00581	HMDB0000128
guanine	Nucleotide	Purine Metabolism, Guanine containing	32352	LC/MS Pos Early	172	2032	152.0567	135398634	73-40-5	C00242	HMDB0000132
guanosine	Nucleotide	Purine Metabolism, Guanine containing	1573	LC/MS Pos Early	1099	1728	284.099	6802	118-00-3	C00387	HMDB0000133
5'- GMP	Nucleotide	Purine Metabolism, Guanine containing	2849	LC/MS Pos Early	347	800	364.0653	6804	12/9/5550	C00144	HMDB0001397
gulonate*	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	46957	LC/MS Polar	100001586	2750	195.051	152304	20246-53-1	C00800	HMDB0003290
heme	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	41754	LC/MS Pos Late	100001386	1124	616.1767	26945	14875-96-8	C00032	HMDB0003178
heneicosapentaenoate (21:5n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	57658	LC/MS Neg	100015797	5514	315.233	11998573	24257-10-1
heptadecasphingosine (d17:1)	Lipid	Sphingosines	57427	LC/MS Pos Late	100015724	1377	286.2741	5283557	6918-48-5
heptanoate (7:0)	Lipid	Medium Chain Fatty Acid	1644	LC/MS Neg	925	3670	129.0921	8094	111-14-8	C17714	HMDB0000666
hexadecadienoate (16:2n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	57652	LC/MS Neg	100009394	5398	251.2017	13932172	28290-73-5		HMDB0000477
hexadecanedioate (C16)	Lipid	Fatty Acid, Dicarboxylate	35678	LC/MS Neg	100001614	4615	285.2071	10459	505-54-4	C19615	HMDB0000672
hexadecatrienoate (16:3n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	57651	LC/MS Neg	100009393	5330	249.186	91820460	7561-64-0
hexanoylcarnitine (C6)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	32328	LC/MS Pos Early	100000781	3358	260.1856	6426853	6920-35-0		HMDB0000756
hexanoylglycine (C6)	Lipid	Fatty Acid Metabolism (Acyl Glycine)	35436	LC/MS Neg	100001527	2900	172.0979	99463	24003-67-6		HMDB0000701
hippurate	Xenobiotics	Benzoate Metabolism	15753	LC/MS Neg	100000014	2106.9	178.051	464	495-69-2	C01586	HMDB0000714
histamine	Amino Acid	Histidine Metabolism	1574	LC/MS Pos Early	354	3035	112.0869	774	51-45-6	C00388	HMDB0000870
histidine	Amino Acid	Histidine Metabolism	59	LC/MS Neg	355	755.9	154.0622	6274	5934-29-2	C00135	HMDB0000177
homocitrulline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	22138	LC/MS Polar	100000963	3006.8	188.1041	65072	1190-49-4	C02427	HMDB0000679
homostachydrine*	Xenobiotics	Food Component/Plant	33009	LC/MS Pos Early	100001550	1750	158.1176	441447	1195-94-4	C08283	HMDB0033433
hydroxy-N6,N6,N6-trimethyllysine*	Amino Acid	Lysine Metabolism	62959	LC/MS Pos Early	100021123	2759	205.1547
hydroxyasparagine	Amino Acid	Alanine and Aspartate Metabolism	62060	LC/MS Pos Early	100020205	1149	149.0557	15991574		C20631	HMDB32332
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))	Lipid	Sphingomyelins	62851	LC/MS Pos Late	100021000	2056	719.5698
hyocholate	Lipid	Secondary Bile Acid Metabolism	34093	LC/MS Neg	100001279	5046	407.2803	92805	547-75-1	C17649	HMDB0000760
hypotaurine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	590	LC/MS Polar	358	2763.4	108.0125	107812	300-84-5	C00519	HMDB0000965
hypoxanthine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	3127	LC/MS Neg	171	1291.2	135.0312	790;135398638	68-94-0	C00262	HMDB0000157
imidazole lactate	Amino Acid	Histidine Metabolism	15716	LC/MS Pos Early	100000263	2040	157.0608	793	14403-45-3	C05568	HMDB0002320
imidazole propionate	Amino Acid	Histidine Metabolism	40730	LC/MS Pos Early	100003434	2263	141.0659	70630	1074-59-5		HMDB0002271
indole-3-carboxylate	Amino Acid	Tryptophan Metabolism	38116	LC/MS Neg	100002185	1710	160.0404	69867	771-50-6	C19837	HMDB0003320
indoleacetate	Amino Acid	Tryptophan Metabolism	27513	LC/MS Neg	100001034	2200	174.0561	802	6505-45-9	C00954	HMDB0000197
indoleacetylglycine	Amino Acid	Tryptophan Metabolism	54730	LC/MS Neg	100006730	2610	231.0775	446640
indolelactate	Amino Acid	Tryptophan Metabolism	18349	LC/MS Neg	100000463	2286	204.0666	92904	832-97-3	C02043	HMDB0000671
indolepropionate	Amino Acid	Tryptophan Metabolism	32405	LC/MS Neg	100001083	2795	188.0717	3744	830-96-6		HMDB0002302
indoxyl glucuronide	Amino Acid	Tryptophan Metabolism	52749	LC/MS Neg	100008931	1940	308.0776	2733785	35804-66-1		HMDB0010319
inosine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	1123	LC/MS Neg	361	1602.1	267.0735	6021	58-63-9	C00294	HMDB0000195
inosine 5'-monophosphate (IMP)	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	2133	LC/MS Polar	362	4267.7	347.0398	8582	4691-65-0	C00130	HMDB0000175
inositol 1-phosphate (I1P)	Lipid	Inositol Metabolism	43849	LC/MS Polar	370	4785	259.0224	440194	573-35-3;106032-59-1	C01177	HMDB0000213
isobutyrylcarnitine (C4)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	33441	LC/MS Pos Early	100001055	2810	232.1543	168379	25518-49-4		HMDB0000736
isocaproylglycine	Lipid	Fatty Acid Metabolism (Acyl Glycine)	61789	LC/MS Neg	100019816	2820	172.0979	28777652
isocitric lactone	Energy	TCA Cycle	54724	LC/MS Polar	100009239	2970	173.0092	98259	4702-32-3
isoleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	1125	LC/MS Pos Early	376	2800	132.1019	6306	73-32-5	C16424,C00407,C06418	HMDB0000172
isoleucylglycine	Peptide	Dipeptide	40008	LC/MS Neg	100003169	1992	187.1088	342532	868-28-0		HMDB0028907
isoleucylhydroxyproline*	Peptide	Dipeptide Derivative	63051	LC/MS Pos Early	100021262	2707	245.1496	61158802			HMDB0028908
isovalerylcarnitine (C5)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	34407	LC/MS Pos Early	100001393	3085	246.17	169235	31023-24-2	C20826	HMDB0000688
isovalerylglycine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	35107	LC/MS Neg	100001452	1950	158.0823	546304	16284-60-9		HMDB00678
itaconate	Energy	TCA Cycle	18373	LC/MS Polar	100000455	2969	129.0193	811	97-65-4	C00490	HMDB0002092
kynurenate	Amino Acid	Tryptophan Metabolism	1417	LC/MS Neg	98	2224	188.0353	3845	492-27-3	C01717	HMDB0000715
kynurenine	Amino Acid	Tryptophan Metabolism	15140	LC/MS Pos Early	100000265	2739	209.0921	161166	2922-83-0	C00328	HMDB0000684
lactate	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	527	LC/MS Polar	482	1469	89.0244	612	79-33-4	C00186	HMDB0000190
lanthionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	42002	LC/MS Pos Early	100003892	1730	209.0591	98504	8/2/3183
laurylcarnitine (C12)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	34534	LC/MS Pos Late	100001392	1235	344.2795	168381	25518-54-1		HMDB000225
leucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	60	LC/MS Pos Early	397	2864	132.1019	6106	61-90-5	C00123	HMDB0000687
leucylalanine	Peptide	Dipeptide	40010	LC/MS Pos Early	100003179	2801	203.139	81721	7298-84-2		HMDB0028922
leucylglutamine*	Peptide	Dipeptide	48189	LC/MS Pos Early	100003183	2620	260.1605	4305457			HMDB0028927
leucylglycine	Peptide	Dipeptide	40045	LC/MS Pos Early	100003185	2778	189.1234	79070	686-50-0		HMDB0028929
leucylhydroxyproline*	Peptide	Dipeptide Derivative	63052	LC/MS Pos Early	100021261	2753	245.1496	20847829			HMDB0028930
lignoceroyl sphingomyelin (d18:1/24:0)	Lipid	Sphingomyelins	57330	LC/MS Pos Late	100006298	3437	815.7001		60037-60-7
lignoceroylcarnitine (C24)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	57515	LC/MS Pos Late	100015834	1603	512.4673
linoleate (18:2n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1105	LC/MS Neg	180	5535	279.233	5280450	60-33-3	C01595	HMDB0000673,HMDB0006270
linolenate (18:3n3 or 3n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	34035	LC/MS Neg	100001337	5450	277.2173	5280933;5280934		C06426,C06427	HMDB0001388,HMDB0003073
linolenoylcarnitine (C18:3)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57511	LC/MS Pos Late	100015831	1310	422.3265
linoleoyl ethanolamide	Lipid	Endocannabinoid	52608	LC/MS Neg	100006726	6150	322.2752	5283446	68171-52-8		HMDB0012252
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*	Lipid	Diacylglycerol	54955	LC/MS Pos Late	100010922	2590	658.5405	9543796			HMDB0007257
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	Lipid	Diacylglycerol	54956	LC/MS Pos Late	100010923	2650	658.5405	9543796			HMDB0007257
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]*	Lipid	Diacylglycerol	54950	LC/MS Pos Late	100010929	2500	682.5405	9543899			HMDB0007266
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	Lipid	Diacylglycerol	54964	LC/MS Pos Late	100010927	2478	632.5249	9543737			HMDB0007250
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	Lipid	Diacylglycerol	54968	LC/MS Pos Late	100010941	2720	634.5405	9543729			HMDB0007248
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*	Lipid	Diacylglycerol	54969	LC/MS Pos Late	100010942	2790	634.5405	9543729			HMDB0007248
linoleoylcarnitine (C18:2)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	46223	LC/MS Pos Late	100003151	1430	424.3421	6450015	36816-10-1		HMDB0006469
linoleoylcholine*	Lipid	Fatty Acid Metabolism (Acyl Choline)	57463	LC/MS Pos Late	100015760	1388	366.3367	53481656			HMDB0013213
lysine	Amino Acid	Lysine Metabolism	1301	LC/MS Pos Early	407	2850	147.1128	5962	56-87-1	C00047,C00739	HMDB0003405
lyxonate	Carbohydrate	Pentose Metabolism	61858	LC/MS Polar	100019968	2350	165.0405
malate	Energy	TCA Cycle	1303	LC/MS Neg	409	615.6	133.0143	525	6915-15-7	C00497,C00149,C00711	HMDB0000744,HMDB0031518,HMDB0000156
maleate	Lipid	Fatty Acid, Dicarboxylate	20676	LC/MS Polar	100000707	2640	115.0037	444266	110-16-7	C01384	HMDB0000176
malonylcarnitine	Lipid	Fatty Acid Synthesis	37059	LC/MS Pos Early	100001526	2086	248.1129	22833583	853728-01-5		HMDB0002095
maltol sulfate	Xenobiotics	Food Component/Plant	48696	LC/MS Neg	100006106	1503	204.9812
maltose	Carbohydrate	Glycogen Metabolism	15586	LC/MS Polar	913	3329.4	387.1144	10991489	6363-53-7	C00208	HMDB0000163
maltotetraose	Carbohydrate	Glycogen Metabolism	15910	LC/MS Polar	100000275	5000	711.2201	439639	34612-38-9	C02052	HMDB0001296
maltotriose	Carbohydrate	Glycogen Metabolism	44688	LC/MS Neg	100000276	812	503.1618	439586	1109-28-0	C01835	HMDB0001262
mannitol/sorbitol	Carbohydrate	Fructose, Mannose and Galactose Metabolism	46142	LC/MS Polar	100001740	2320	181.0718	6251;5780		C00392,C00794	HMDB0000247,HMDB0000765
mannonate*	Xenobiotics	Food Component/Plant	62864	LC/MS Polar	100003695	2736	195.051	3246006	642-99-9
mannose	Carbohydrate	Fructose, Mannose and Galactose Metabolism	48153	LC/MS Polar	803	2200	225.0616	185698;82308;18950;439680	3458-28-4	C00159,C02209,C00936	HMDB0000169
mannose 6-phosphate	Carbohydrate	Fructose, Mannose and Galactose Metabolism	1469	LC/MS Polar	294	4510	259.0224	439198	70442-25-0;104872-94-8	C00275	HMDB0001078
margarate (17:0)	Lipid	Long Chain Saturated Fatty Acid	1121	LC/MS Neg	891	5731	269.2486	10465	506-12-7		HMDB0002259
margaroylcarnitine (C17)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	57512	LC/MS Pos Late	100004054	1424	414.3578	53477803	106182-29-0		HMDB0006210
mead acid (20:3n9)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	35174	LC/MS Neg	100001472	5650	305.2486	5312531	20590-32-3		HMDB0010378
mesaconate (methylfumarate)	Energy	TCA Cycle	18493	LC/MS Polar	100000446	3000	129.0193	638129	498-24-8	C01732	HMDB0000749
methionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	1302	LC/MS Pos Early	415	2526	150.0583	6137	63-68-3	C00073	HMDB0000696
methionine sulfone	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	44878	LC/MS Pos Early	100004635	1250	182.0482	69961	820-10-0		HMDB0062174
methionine sulfoxide	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	18374	LC/MS Pos Early	100000039	1272	166.0533	158980	3226-65-1	C02989	HMDB0002005
methyl glucopyranoside (alpha + beta)	Xenobiotics	Food Component/Plant	46144	LC/MS Neg	100005864	1070	193.0718	445238;3036743;2108			HMDB0029965
methylmalonate (MMA)	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	1496	LC/MS Polar	418	3078.4	117.0193	487	516-05-2	C02170	HMDB0000202
methylphosphate	Nucleotide	Purine and Pyrimidine Metabolism	37070	LC/MS Neg	100001805	605	110.9853	13130	7023-27-0		HMDB61711
methylsuccinate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	15745	LC/MS Polar	2051	2800	131.035	10349	498-21-5		HMDB0001844
myo-inositol	Lipid	Inositol Metabolism	1124	LC/MS Polar	363	3506.3	225.0616	892	87-89-8	C00137	HMDB0000211
myristate (14:0)	Lipid	Long Chain Saturated Fatty Acid	1365	LC/MS Neg	519	5440	227.2017	11005	544-63-8	C06424	HMDB0000806
myristoleate (14:1n5)	Lipid	Long Chain Monounsaturated Fatty Acid	32418	LC/MS Neg	100001198	5346.9	225.186	5281119	544-64-9	C08322	HMDB0002000
myristoleoylcarnitine (C14:1)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	48182	LC/MS Pos Late	100006051	1316	370.2947	129691961	889848-55-9		HMDB0240588
myristoylcarnitine (C14)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	33952	LC/MS Pos Late	100001270	1350	372.3108	6426854	18822-89-4		HMDB000506
N('1)-acetylspermidine	Amino Acid	Polyamine Metabolism	57689	LC/MS Pos Early	187	3075	188.1757	496	14278-49-0	C00612	HMDB0001276
N,N,N-trimethyl-5-aminovalerate	Amino Acid	Lysine Metabolism	57687	LC/MS Pos Early	100015962	2186	160.1332	14274897
N,N,N-trimethyl-alanylproline betaine (TMAP)	Amino Acid	Urea cycle; Arginine and Proline Metabolism	62947	LC/MS Pos Early	100020217	2470	229.1547				HMDB0240365
N,N-dimethyl-pro-pro	Peptide	Modified Peptides	64571	LC/MS Pos Early	100022041	2500	241.1547
N,N-dimethylalanine	Amino Acid	Alanine and Aspartate Metabolism	63151	LC/MS Pos Early	100020371	1370	118.0863	5488191	2812-31-9
N-(2-furoyl)glycine	Xenobiotics	Food Component/Plant	31536	LC/MS Neg	100001086	1525	168.0302	21863	5657-19-2;5657-19-2		HMDB0000439
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH))	Lipid	Ceramides	57697	LC/MS Pos Late	100015642	2692	554.5143	72715801	34839-02-6
N-acetyl-1-methylhistidine*	Amino Acid	Histidine Metabolism	43255	LC/MS Pos Early	100004299	2100	212.1028	53859791
N-acetyl-2-aminoadipate	Amino Acid	Lysine Metabolism	63920	LC/MS Pos Early	100021760	1374	204.0867	443992		C12986
N-acetyl-2-aminooctanoate*	Lipid	Fatty Acid, Amino	62059	LC/MS Neg	100020204	3943	200.1292	95555			HMDB0059745
N-acetyl-3-methylhistidine*	Amino Acid	Histidine Metabolism	43256	LC/MS Neg	100002204	1360	210.0884	193270	37841-04-6
N-acetyl-aspartyl-glutamate (NAAG)	Amino Acid	Glutamate Metabolism	35665	LC/MS Pos Early	100001612	1035	305.098	188803	3106-85-2	C12270	HMDB0001067
N-acetyl-beta-alanine	Nucleotide	Pyrimidine Metabolism, Uracil containing	37432	LC/MS Polar	100002102	1750	130.051	76406	3025-95-4	C01073	HMDB0061880
N-acetyl-glucosamine 1-phosphate	Carbohydrate	Aminosugar Metabolism	15741	LC/MS Polar	1212	4052	300.049	440364	31281-59-1	C04256	HMDB0001367
N-acetylalanine	Amino Acid	Alanine and Aspartate Metabolism	1585	LC/MS Polar	1110	1564.8	130.051	88064	97-69-8	C02847	HMDB0000766
N-acetylarginine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	33953	LC/MS Pos Early	100001266	2245	217.1295	67427	155-84-0	C02562	HMDB0004620
N-acetylasparagine	Amino Acid	Alanine and Aspartate Metabolism	33942	LC/MS Pos Early	100001257	785	175.0713	99715	4033-40-3		HMDB0006028
N-acetylaspartate (NAA)	Amino Acid	Alanine and Aspartate Metabolism	22185	LC/MS Polar	100000787	3143	174.0408	65065	997-55-7;997-55-7	C01042	HMDB0000812
N-acetylcarnosine	Amino Acid	Histidine Metabolism	43488	LC/MS Pos Early	100004046	2141	269.1244	9903482	56353-15-2		HMDB0012881
N-acetylcitrulline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	48434	LC/MS Pos Early	100001577	1010	218.1135	656979	33965-42-3	C15532,C02851	HMDB0000856
N-acetylcysteine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	1586	LC/MS Pos Early	1107	1416	164.0376	12035	616-91-1	C06809	HMDB0001890
N-acetylglucosamine 6-phosphate	Carbohydrate	Aminosugar Metabolism	15107	LC/MS Polar	1213	4114	300.049	439219	102029-88-9	C00357	HMDB0002817
N-acetylglucosamine/N-acetylgalactosamine	Carbohydrate	Aminosugar Metabolism	46539	LC/MS Pos Early	100006435	715	222.0972	84265;439174		C01074	HMDB0000212,HMDB0000215
N-acetylglucosaminylasparagine	Carbohydrate	Aminosugar Metabolism	48149	LC/MS Pos Early	1215	1212	336.1402	123826	2776-93-4	C04540	HMDB0000489
N-acetylglutamate	Amino Acid	Glutamate Metabolism	15720	LC/MS Polar	100000282	3106	188.0564	70914	8/3/5817	C00624	HMDB0001138
N-acetylglutamine	Amino Acid	Glutamate Metabolism	33943	LC/MS Pos Early	100001253	845	189.087	182230	2490-97-3	C02716	HMDB0006029
N-acetylglycine	Amino Acid	Glycine, Serine and Threonine Metabolism	27710	LC/MS Pos Early	100001006	826	118.0499	10972	543-24-8		HMDB0000532
N-acetylhistamine	Amino Acid	Histidine Metabolism	48679	LC/MS Neg	100006123	1730	152.0832	69602	673-49-4	C05135	HMDB0013253
N-acetylhistidine	Amino Acid	Histidine Metabolism	33946	LC/MS Pos Early	100001293	2065	198.0873	75619	39145-52-3	C02997	HMDB0032055
N-acetylisoleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	33967	LC/MS Neg	100001276	2325	172.0979	306109	3077-46-1		HMDB0061684
N-acetylleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	1587	LC/MS Neg	1082	2400	172.0979	70912	1188-21-2	C02710	HMDB0011756
N-acetylmethionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	1589	LC/MS Neg	1083	1787	190.0543	448580	65-82-7	C02712	HMDB0011745
N-acetylmethionine sulfoxide	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	45428	LC/MS Pos Early	100005463	880	208.0638	11902949	108646-71-5
N-acetylneuraminate	Carbohydrate	Aminosugar Metabolism	32377	LC/MS Polar	1162	3072.6	308.0987	439197	131-48-6	C00270	HMDB0000230
N-acetylphenylalanine	Amino Acid	Phenylalanine Metabolism	33950	LC/MS Neg	100001256	2597	206.0823	74839	2018-61-3	C03519	HMDB0000512
N-acetylputrescine	Amino Acid	Polyamine Metabolism	37496	LC/MS Pos Early	192	2230	131.1179	122356	18233-70-0	C02714	HMDB0002064
N-acetylpyrraline	Xenobiotics	Food Component/Plant	48438	LC/MS Neg	100006120	2545	295.1299			C01227
N-acetylserine	Amino Acid	Glycine, Serine and Threonine Metabolism	37076	LC/MS Polar	100001851	2000	146.0459	65249	97-14-3		HMDB0002931
N-acetyltaurine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	48187	LC/MS Neg	100005466	800	166.018	159864			HMDB0240253
N-acetylthreonine	Amino Acid	Glycine, Serine and Threonine Metabolism	33939	LC/MS Neg	100001274	821.6	160.0615	152204	17093-74-2		HMDB0062557
N-acetyltryptophan	Amino Acid	Tryptophan Metabolism	33959	LC/MS Neg	100001254	2630	245.0932	439917;700653	1218-34-4	C03137	HMDB0013713
N-acetyltyrosine	Amino Acid	Tyrosine Metabolism	32390	LC/MS Neg	100001104	1680	222.0772	68310	537-55-3		HMDB0000866
N-acetylvaline	Amino Acid	Leucine, Isoleucine and Valine Metabolism	1591	LC/MS Neg	1084	1704	158.0823	66789	96-81-1		HMDB0011757
N-arachidonoyltaurine	Lipid	Endocannabinoid	54748	LC/MS Neg	100005817	5481	410.2371	42607331	119959-65-8
N-carbamoylaspartate	Nucleotide	Pyrimidine Metabolism, Orotate containing	1594	LC/MS Polar	1108	3800	175.036	93072	923-37-5	C00438	HMDB0000828
N-carboxymethylalanine	Xenobiotics	Food Component/Plant	63155	LC/MS Pos Early	100021194	905	148.0604	440119	106327-05-3
N-delta-acetylornithine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	43249	LC/MS Neg	100004523	858	173.0932	9920500		C00437	HMDB0003357
N-formylanthranilic acid	Amino Acid	Tryptophan Metabolism	43549	LC/MS Neg	100004561	2150	164.0353	101399	3342-77-6	C05653	HMDB0004089
N-formylmethionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	2829	LC/MS Neg	194	1543.8	176.0387	439750	4289-98-9	C03145	HMDB0001015
N-formylphenylalanine	Amino Acid	Tyrosine Metabolism	48433	LC/MS Neg	100006056	2360	192.0666	7064571;759256	13200-85-6		HMDB0240317
N-glycolylneuraminate	Carbohydrate	Aminosugar Metabolism	37123	LC/MS Polar	100001491	3327.5	324.0936	123802	1113-83-3	C03410	HMDB0000833
N-linoleoyltaurine*	Lipid	Endocannabinoid	61826	LC/MS Neg	100005814	5505	386.2371	52922081
N-methyl-GABA	Amino Acid	Glutamate Metabolism	39577	LC/MS Pos Early	100003152	2109	118.0863	70703	1119-48-8	C15987
N-methylalanine	Amino Acid	Alanine and Aspartate Metabolism	37069	LC/MS Pos Early	100001823	1580	104.0706	4377	600-21-5	C02721	HMDB0094692
N-methylproline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	37431	LC/MS Pos Early	100001956	1335	130.0863	643474	475-11-6		HMDB0094696
N-monomethylarginine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	43586	LC/MS Pos Early	100004488	2845	189.1346	132862	53308-83-1	C03884	HMDB0029416
N-oleoyltaurine	Lipid	Endocannabinoid	39732	LC/MS Neg	100003119	5610	388.2527	6437033	52514-04-2
N-palmitoyl-sphingadienine (d18:2/16:0)*	Lipid	Ceramides	57416	LC/MS Pos Late	100015609	2490	536.5037
N-palmitoyl-sphinganine (d18:0/16:0)	Lipid	Dihydroceramides	52604	LC/MS Pos Late	100009028	3090	540.535	5283572	5966-29-0		HMDB11760
N-palmitoyl-sphingosine (d18:1/16:0)	Lipid	Ceramides	44877	LC/MS Pos Late	1518	2893	538.5194	5283564	24696-26-2		HMDB0004949
N-palmitoylglycine	Lipid	Fatty Acid Metabolism (Acyl Glycine)	42092	LC/MS Neg	100003686	5580	312.2544	151008	2441-41-0		HMDB0013034
N-palmitoyltaurine	Lipid	Endocannabinoid	39835	LC/MS Neg	100003239	5560	362.2371	14504290	83982-06-3
N-stearoyl-sphinganine (d18:0/18:0)*	Lipid	Dihydroceramides	1759	LC/MS Pos Late	922	3526	568.5663	5283573	2304-80-5
N-stearoyl-sphingosine (d18:1/18:0)*	Lipid	Ceramides	54979	LC/MS Pos Late	1547	3392	566.5507	5283565	104404-17-3		HMDB0004950
N-stearoyltaurine	Lipid	Endocannabinoid	39730	LC/MS Neg	100003240	5782	390.2684	168274	63155-80-6
N1-Methyl-2-pyridone-5-carboxamide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	40469	LC/MS Pos Early	100001468	1250	153.0659	69698	701-44-0	C05842	HMDB0004193
N1-Methyl-4-pyridone-3-carboxamide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	57584	LC/MS Pos Early	100001469	1260	153.0659	440810	769-49-3	C05843	HMDB0004194
1-methyladenosine	Nucleotide	Purine Metabolism, Adenine containing	15650	LC/MS Neg	1242	1878	148.0629	27476	15763-06-1	C02494	HMDB0003331
N1-methylinosine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	48351	LC/MS Pos Early	100001409	1430	283.1037	650095	20245-33-4		HMDB0002721
N2,N2-dimethylguanosine	Nucleotide	Purine Metabolism, Guanine containing	35137	LC/MS Pos Early	100001412	2210	312.1303	135501639	2140-67-2		HMDB0004824
N2,N5-diacetylornithine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	43591	LC/MS Neg	100004575	1367	215.1037	65977	39825-23-5
N2-acetyllysine	Amino Acid	Lysine Metabolism	36751	LC/MS Polar	100001721	3372.6	187.1088	92907	1946-82-3	C12989	HMDB0000446
N4-acetylcytidine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	35130	LC/MS Neg	100001413	2040	284.0888	107461	3768-18-1		HMDB0005923
N6,N6,N6-trimethyllysine	Amino Acid	Lysine Metabolism	1498	LC/MS Pos Early	189	2825	189.1598	440120	23284-33-5	C03793	HMDB0001325
N6,N6-dimethyllysine	Amino Acid	Lysine Metabolism	62862	LC/MS Pos Early	100020417	2831	175.1441	193344	2259-86-1	C05545	HMDB0013287
N6-acetyllysine	Amino Acid	Lysine Metabolism	36752	LC/MS Neg	100001734	1059	187.1088	92832	692-04-6	C02727	HMDB0000206
N6-carbamoylthreonyladenosine	Nucleotide	Purine Metabolism, Adenine containing	35157	LC/MS Neg	100001415	2164	411.127	161466	24719-82-2		HMDB0041623
N6-carboxymethyllysine	Carbohydrate	Advanced Glycation End-product	36713	LC/MS Pos Early	100001768	2500	205.1183	123800	4/3/5746		HMDB0240347
N6-methyllysine	Amino Acid	Lysine Metabolism	62860	LC/MS Pos Early	100003415	2831	161.1285	164795	1188-07-4	C02728	HMDB0002038
N6-succinyladenosine	Nucleotide	Purine Metabolism, Adenine containing	48130	LC/MS Neg	100001664	940	382.1004	165243	4542-23-8		HMDB0000912
NADHX*	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	63700	LC/MS Neg	100021770	1368	682.1276	123131986;56927860;25203523		C20482,C04856	HMDB0059644
nervonoylcarnitine (C24:1)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	57531	LC/MS Pos Late	100015846	1602	510.4517
nicotinamide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	594	LC/MS Pos Early	432	1942	123.0553	936	98-92-0	C00153	HMDB0001406
NAD+	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	5278	LC/MS Pos Early	1310	875	332.5618	5892	53-84-9	C00006	HMDB0000217
NADH	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	31475	LC/MS Neg	428	1540	664.1175	439153	58-68-4;606-68-8	C00004	HMDB0001487
nicotinamide N-oxide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	39582	LC/MS Pos Early	100002763	877	139.0502	72661	1986-81-8		HMDB0002730
nicotinamide ribonucleotide (NMN)	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	22152	LC/MS Pos Early	1312	766	335.0639	14180	1094-61-7	C00455	HMDB0000229
nicotinamide riboside	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	33013	LC/MS Pos Early	100001310	2040	255.0976	439924	1341-23-7	C03150	HMDB0000855
nicotinate	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	1504	LC/MS Pos Early	567	1673	124.0393	938	59-67-6	C00253	HMDB0001488
nisinate (24:6n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	57810	LC/MS Neg	100015785	5657	355.2643	11792612	68378-49-4		HMDB0013025
nonadecanoate (19:0)	Lipid	Long Chain Saturated Fatty Acid	1356	LC/MS Neg	892	6068	297.2799	12591	646-30-0	C16535	HMDB0000772
O-methyltyrosine	Amino Acid	Tyrosine Metabolism	37451	LC/MS Pos Early	100002078	2790	196.0968	441350;2723935	1080-06-4	D00762	HMDB0014903
O-sulfo-L-tyrosine	Xenobiotics	Chemical	45413	LC/MS Neg	100005384	990	260.0234	514186
octadecenedioate (C18:1-DC)	Lipid	Fatty Acid, Dicarboxylate	61861	LC/MS Neg	100019978	4875	311.2228	9543674
octanoylcarnitine (C8)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)	33936	LC/MS Pos Late	100001247	950	288.2169	11953814;123701	3671-77-0	C02838	HMDB0000791
oleate/vaccenate (18:1)	Lipid	Long Chain Monounsaturated Fatty Acid	52285	LC/MS Neg	100008930	5655	281.2486	637517;445639;5281127;5282761		C01712,C08367,C00712,C21944	HMDB0000207,HMDB0000573,HMDB0003231,HMDB0240219
oleoyl ethanolamide	Lipid	Endocannabinoid	38102	LC/MS Pos Late	1137	1661	326.3054	5283454	11-58-0;111-58-0		HMDB0002088
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*	Lipid	Diacylglycerol	54960	LC/MS Pos Late	100010936	2907	660.5562	9543786			HMDB0007228
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	Lipid	Diacylglycerol	54961	LC/MS Pos Late	100010937	2990	660.5562	9543786			HMDB0007228
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*	Lipid	Diacylglycerol	54970	LC/MS Pos Late	100010944	2819	634.5405	14275403			HMDB0007220
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	Lipid	Diacylglycerol	46798	LC/MS Pos Late	100002989	3115	636.5562	14275396	106292-55-1		HMDB0007219
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	Lipid	Diacylglycerol	46799	LC/MS Pos Late	100002990	3223	636.5562	71433693	104346-53-4		HMDB0007219
oleoylcarnitine (C18:1)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	35160	LC/MS Pos Late	100001501	1423	426.3578	6441392	38677-66-6		HMDB0005065
oleoylcholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	53260	LC/MS Pos Late	100009331	1449	368.3523	59040790			HMDB0240596
ophthalmate	Amino Acid	Glutathione Metabolism	34592	LC/MS Pos Early	100001311	2085	290.1347	7018721	495-27-2		HMDB0005765
ornithine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	1493	LC/MS Pos Early	444	2800	133.0972	6262	3184-13-2	C00077	HMDB0000214
orotate	Nucleotide	Pyrimidine Metabolism, Orotate containing	1505	LC/MS Polar	445	1638.1	155.0098	967	50887-69-9	C00295	HMDB0000226
orotidine	Nucleotide	Pyrimidine Metabolism, Orotate containing	35172	LC/MS Polar	100001416	2250	287.0521	92751	314-50-1		HMDB0000788
oxalate (ethanedioate)	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	20694	LC/MS Neg	100000841	603	88.988	971	144-62-7	C00209	HMDB0002329
oxindolylalanine	Amino Acid	Tryptophan Metabolism	64568	LC/MS Pos Early	100022120	2756	221.0921	20977764
p-cresol glucuronide*	Amino Acid	Tyrosine Metabolism	48841	LC/MS Neg	100006191	2420	283.0823	154035	17680-99-8		HMDB0011686
p-cresol sulfate	Xenobiotics	Benzoate Metabolism	36103	LC/MS Neg	100001315	2890	187.0071	4615423	3233-57-7		HMDB0011635
palmitate (16:0)	Lipid	Long Chain Saturated Fatty Acid	1336	LC/MS Neg	424	5618	255.233	985	57-10-3	C00249	HMDB0000220
palmitoleate (16:1n7)	Lipid	Long Chain Monounsaturated Fatty Acid	33447	LC/MS Neg	452	5475	253.2173	445638	373-49-9	C08362	HMDB0003229
palmitoleoyl ethanolamide*	Lipid	Endocannabinoid	57541	LC/MS Pos Late	100015862	1546	298.2741	9835868			HMDB0013648
palmitoleoylcarnitine (C16:1)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	53223	LC/MS Pos Late	100009406	1357	398.3265	71464547
palmitoloelycholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	53257	LC/MS Pos Late	100009334	1385	340.321
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	Lipid	Dihydrosphingomyelins	52434	LC/MS Pos Late	100008954	2290	705.5905	9939965			HMDB0010168
palmitoyl ethanolamide	Lipid	Endocannabinoid	38165	LC/MS Pos Late	1489	1643	300.2897	4671	544-31-0	C16512	HMDB0002100
palmitoyl sphingomyelin (d18:1/16:0)	Lipid	Sphingomyelins	37506	LC/MS Pos Late	100002107	2168	703.5749	9939941	6254-89-3		HMDB0010169
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*	Lipid	Diacylglycerol	54957	LC/MS Pos Late	100010924	2916	634.5405	9543736			HMDB0007112
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*	Lipid	Diacylglycerol	54958	LC/MS Pos Late	100010925	3015	634.5405	9543736			HMDB0007112
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]*	Lipid	Diacylglycerol	57373	LC/MS Pos Late	100015618	2749	658.5405	9543827			HMDB0007121
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [2]*	Lipid	Diacylglycerol	57374	LC/MS Pos Late	100015619	2830	658.5405	9543827			HMDB0007121
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	Lipid	Diacylglycerol	52634	LC/MS Pos Late	100009055	3197	610.5405	131801744			HMDB0007103
palmitoylcarnitine (C16)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	44681	LC/MS Pos Late	100000776	1425	400.3421	461	6865-14-1	C02990	HMDB0000222
palmitoylcholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	52944	LC/MS Pos Late	100009233	1482	342.3367	151731			HMDB0240592
pantetheine	Cofactors and Vitamins	Pantothenate and CoA Metabolism	57555	LC/MS Neg	100001495	2765	277.1228	439322	496-65-1	C00831	HMDB0003426
pantoate	Cofactors and Vitamins	Pantothenate and CoA Metabolism	63061	LC/MS Polar	100002613	1100	147.0663	5289105	470-29-1	C00522
pantothenate (Vitamin B5)	Cofactors and Vitamins	Pantothenate and CoA Metabolism	1508	LC/MS Neg	1024	1498.7	218.1034	6613	137-08-6	C00864	HMDB0000210
pentadecanoate (15:0)	Lipid	Long Chain Saturated Fatty Acid	1361	LC/MS Neg	980	5521	241.2173	13849	1002-84-2;10002-84-2	C16537	HMDB0000826
pentadecanoylcarnitine (C15)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	57522	LC/MS Pos Late	100015842	1362	386.3265	123132011			HMDB0062517
perfluorooctanesulfonate (PFOS)	Xenobiotics	Chemical	57564	LC/MS Neg	100010955	5233	498.9302	74483	1763-23-1	C18142	HMDB0059586
phenol glucuronide	Amino Acid	Tyrosine Metabolism	52747	LC/MS Neg	100006679	1800	269.0667	87235	17685-05-1		HMDB0060014
phenol sulfate	Amino Acid	Tyrosine Metabolism	32553	LC/MS Neg	100001510	2156	172.9914	74426	937-34-8	C02180	HMDB0060015
phenylacetylglycine	Peptide	Acetylated Peptides	33945	LC/MS Neg	100001275	2375	192.0666	68144	500-98-1	C05598	HMDB0000821
phenylalanine	Amino Acid	Phenylalanine Metabolism	64	LC/MS Pos Early	460	2878	166.0863	6140	63-91-2	C00079	HMDB0000159
phenylalanylalanine	Peptide	Dipeptide	41374	LC/MS Neg	100003589	2745	235.1088	5488196	3918-87-4		HMDB0028988
phenylalanylglycine	Peptide	Dipeptide	41370	LC/MS Pos Early	100003588	2898	223.1077	6992304	721-90-4		HMDB0028995
phenyllactate (PLA)	Amino Acid	Phenylalanine Metabolism	22130	LC/MS Neg	100000774	2208	165.0557	3848	828-01-3	C05607	HMDB0000779,HMDB0000563
phenylpyruvate	Amino Acid	Phenylalanine Metabolism	566	LC/MS Polar	241	845	163.0401	997	156-06-9	C00166	HMDB0000205
phosphate	Energy	Oxidative Phosphorylation	42109	LC/MS Pos Early	461	576	98.9842	1061	7664-38-2	C00009	HMDB0001429
phosphoenolpyruvate (PEP)	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	597	LC/MS Neg	463	587.3	166.9751	1005	10526-80-4	C00074	HMDB0000263
phosphoethanolamine (PE)	Lipid	Phospholipid Metabolism	1600	LC/MS Neg	1026	638	140.0118	1015	1071-23-4	C00346	HMDB0000224
phosphopantetheine	Cofactors and Vitamins	Pantothenate and CoA Metabolism	15504	LC/MS Neg	100000328	1597	357.0891	987	NA	C01134	HMDB0001416
phytosphingosine	Lipid	Sphingolipid Synthesis	1510	LC/MS Pos Late	469	1367	318.3003	122121	554-62-1	C12144	HMDB0004610
picolinate	Amino Acid	Tryptophan Metabolism	1512	LC/MS Pos Early	1022	910	124.0393	1018	98-98-6	C10164	HMDB0002243
pipecolate	Amino Acid	Lysine Metabolism	1444	LC/MS Pos Early	1025	2200	130.0863		4043-87-2
prolylhydroxyproline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	35127	LC/MS Pos Early	100001167	2128	229.1183	11902893	18684-24-7		HMDB0006695
proline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	1898	LC/MS Pos Early	480	1603	116.0706	145742;614;8988	147-85-3	C00148,C000763	HMDB0000162,HMDB0003411
prolylglycine	Peptide	Dipeptide	40703	LC/MS Pos Early	100003674	2136	173.0921	6426709	2578-57-6		HMDB0011178
propionylcarnitine (C3)	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	32452	LC/MS Pos Early	100001162	2590	218.1387	107738	17298-37-2	C03017	HMDB0000824
prostaglandin E2	Lipid	Eicosanoid	7746	LC/MS Neg	487	4573	351.2177	5280360	363-24-6	C00584,DG00448,D00079	HMDB0001220
prostaglandin F2alpha	Lipid	Eicosanoid	19398	LC/MS Neg	100000574	4658	353.2333	5283078	551-11-1	C00639	HMDB0001139
pseudouridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	33442	LC/MS Neg	821	1100	243.0623	15047	1445-07-4	C02067	HMDB0000767
putrescine	Amino Acid	Polyamine Metabolism	1408	LC/MS Pos Early	49	3027	89.1073	1045	110-60-1	C00134	HMDB0001414
pyridoxal	Cofactors and Vitamins	Vitamin B6 Metabolism	1651	LC/MS Pos Early	491	2343	168.0655	1050	65-22-5	C00250	HMDB0001545
pyridoxal phosphate	Cofactors and Vitamins	Vitamin B6 Metabolism	5331	LC/MS Pos Early	492	1367	248.0319	1051	41468-25-1	C00018	HMDB0001491
pyridoxamine	Cofactors and Vitamins	Vitamin B6 Metabolism	2150	LC/MS Pos Early	568	2975	169.0972	1052	58052-48-5	C00534	HMDB0001431
pyridoxamine phosphate	Cofactors and Vitamins	Vitamin B6 Metabolism	3138	LC/MS Pos Early	493	1932	249.0635	1053	529-96-4	C00647	HMDB0001555
pyridoxate	Cofactors and Vitamins	Vitamin B6 Metabolism	31555	LC/MS Neg	100001121	2185	182.0459	6723	82-82-6	C00847	HMDB0000017
pyrraline	Xenobiotics	Food Component/Plant	48428	LC/MS Neg	100001767	2304	253.1194	14274616	74509-14-1	C21013	HMDB0033143
pyruvate	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	48990	LC/MS Polar	823	1083	87.0088	1060	127-17-3	C00022	HMDB0000243
quinate	Xenobiotics	Food Component/Plant	18335	LC/MS Polar	100000442	2432.9	191.0561	6508	77-95-2	C00296	HMDB0003072
quinolinate	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	1899	LC/MS Polar	182	3000	166.0146	1066	89-00-9	C03722	HMDB0000232
raffinose	Carbohydrate	Disaccharides and Oligosaccharides	586	LC/MS Neg	879	978	503.1618	10542	17629-30-0	C00492	HMDB0003213
retinol (Vitamin A)	Cofactors and Vitamins	Vitamin A Metabolism	1806	LC/MS Pos Late	498	1636	269.2264	445354	68-26-8	C00473	HMDB0000305
ribitol	Carbohydrate	Pentose Metabolism	15772	LC/MS Polar	100000406	1789.6	151.0612	6912	488-81-3	C00532,C01904,C00474,C00379	HMDB0002917,HMDB0000508,HMDB0001851,HMDB0000568
riboflavin (Vitamin B2)	Cofactors and Vitamins	Riboflavin Metabolism	1827	LC/MS Neg	500	3160	255.0887	493570	83-88-5	C00255	HMDB0000244
ribonate	Carbohydrate	Pentose Metabolism	27731	LC/MS Polar	100001007	2425	165.0405	5460677	8/3/5336	C01685	HMDB0000867
ribose	Carbohydrate	Pentose Metabolism	1471	LC/MS Polar	914	1508.2	195.051	5779	50-69-1	C00121	HMDB0000283
ribose 1-phosphate	Carbohydrate	Pentose Phosphate Pathway	1763	LC/MS Polar	219	4025	229.0119	439236	50-99-7;58459-37-3	C00620	HMDB0001489
ribulose/xylulose	Carbohydrate	Pentose Metabolism	54671	LC/MS Polar	100006122	1400	195.051	151261;5289590			HMDB0000621,HMDB0000751,HMDB0001644,HMDB0003371
S-(1,2-dicarboxyethyl)glutathione	Amino Acid	Glutathione Metabolism	63009	LC/MS Neg	100020967	543	422.0875	9802383	1115-52-2
S-(3-hydroxypropyl)mercapturic acid (HPMA)	Xenobiotics	Chemical	44552	LC/MS Neg	100004568	1576	220.0649	119083	23127-40-4
S-1-pyrroline-5-carboxylate	Amino Acid	Glutamate Metabolism	42370	LC/MS Pos Early	35	1528	114.055	11966181	2906-39-0	C04322	HMDB0001301
S-adenosylhomocysteine (SAH)	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	42382	LC/MS Neg	197	1832.4	383.1143	439155	979-92-0	C00021	HMDB00939
S-adenosylmethionine (SAM)	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	15915	LC/MS Pos Early	1263	3002	399.1445	34755	24346-00-7;86867-01-8;86867-0108	C00019	HMDB0001185
S-carboxymethyl-L-cysteine	Xenobiotics	Drug - Other	47897	LC/MS Pos Early	100002324	1490	180.0325	193653	638-23-3	C03727	HMDB0029415
S-methylcysteine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	39592	LC/MS Pos Early	100002749	1955	119.0161	88180;7058174;24417	1187-84-4		HMDB0002108
S-methylglutathione	Amino Acid	Glutathione Metabolism	33944	LC/MS Neg	100001259	1075	320.0922	115260	2922-56-7	C11347
salicylate	Xenobiotics	Drug - Topical Agents	1515	LC/MS Polar	501	802	137.0242	338	69-72-7	C00805	HMDB0001895
sarcosine	Amino Acid	Glycine, Serine and Threonine Metabolism	1516	LC/MS Pos Early	1023	1280	90.055	1088	107-97-1	C00213	HMDB0000271
sebacate (C10-DC)	Lipid	Fatty Acid, Dicarboxylate	32398	LC/MS Neg	100001211	1788	201.1132	5192	111-20-6	C08277	HMDB0000792
sedoheptulose	Carbohydrate	Pentose Metabolism	53237	LC/MS Polar	100002619	2255	209.0667	5459879	3019-74-7	C02076	HMDB0003219
sedoheptulose-7-phosphate	Carbohydrate	Pentose Phosphate Pathway	35649	LC/MS Polar	100001628	4364	289.033	616	2646-35-7	C05382	HMDB0001068
serine	Amino Acid	Glycine, Serine and Threonine Metabolism	1648	LC/MS Pos Early	503	1239	106.0499	5951	56-45-1	C00065	HMDB0000187
serotonin	Amino Acid	Tryptophan Metabolism	2342	LC/MS Pos Early	504	2550	177.1022	5202	153-98-0	C00780	HMDB0000259
spermidine	Amino Acid	Polyamine Metabolism	485	LC/MS Pos Early	50	3355	146.1652	1102	124-20-9	C00315	HMDB0001257
spermine	Amino Acid	Polyamine Metabolism	603	LC/MS Pos Early	507	3350	203.223	1103	71-44-3	C00750	HMDB0001256
sphingadienine	Lipid	Sphingolipid Synthesis	57426	LC/MS Pos Late	100015643	1350	298.2741	6449795	25696-03-1
sphinganine	Lipid	Sphingolipid Synthesis	17769	LC/MS Pos Late	313	1413	302.3054	3126	3102-56-5	C00836	HMDB0000269
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	Lipid	Sphingomyelins	52433	LC/MS Pos Late	100006314	2082	689.5592		121999-58-4
sphingomyelin (d18:0/18:0, d19:0/17:0)*	Lipid	Dihydrosphingomyelins	57473	LC/MS Pos Late	100009027	2500	733.6218	44260130			HMDB0012087
sphingomyelin (d18:0/20:0, d16:0/22:0)*	Lipid	Dihydrosphingomyelins	57476	LC/MS Pos Late	100015786	2850	761.6531
sphingomyelin (d18:1/14:0, d16:1/16:0)*	Lipid	Sphingomyelins	42463	LC/MS Pos Late	100004328	1998	675.5436	11433862			HMDB0012097
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	Lipid	Sphingomyelins	52615	LC/MS Pos Late	100008920	2350	717.5905	46891763	121999-64-2
sphingomyelin (d18:1/18:1, d18:2/18:0)	Lipid	Sphingomyelins	37529	LC/MS Pos Late	100002106	2167	729.5905	6443882	108392-10-5		HMDB0012101
sphingomyelin (d18:1/19:0, d19:1/18:0)*	Lipid	Sphingomyelins	57475	LC/MS Pos Late	100015787	2550	745.6218
sphingomyelin (d18:1/20:0, d16:1/22:0)*	Lipid	Sphingomyelins	48490	LC/MS Pos Late	100006290	2800	759.6375	44260124			HMDB0012102
sphingomyelin (d18:1/20:1, d18:2/20:0)*	Lipid	Sphingomyelins	48491	LC/MS Pos Late	100006292	2450	757.6218		222403-67-0
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*	Lipid	Sphingomyelins	52495	LC/MS Pos Late	100009025	3000	773.6531
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	Lipid	Sphingomyelins	48493	LC/MS Pos Late	100006295	2775	785.6531				HMDB0012104
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*	Lipid	Sphingomyelins	57477	LC/MS Pos Late	100006296	2350	783.6375
sphingomyelin (d18:1/24:1, d18:2/24:0)*	Lipid	Sphingomyelins	47153	LC/MS Pos Late	100005986	3200	813.6844	44260126	94359-13-4		HMDB0012107
sphingomyelin (d18:2/16:0, d18:1/16:1)*	Lipid	Sphingomyelins	42459	LC/MS Pos Late	100004329	2002	701.5592
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*	Lipid	Sphingomyelins	52435	LC/MS Pos Late	100008956	3000	799.6687	134757653
sphingomyelin (d18:2/23:1)*	Lipid	Sphingomyelins	57482	LC/MS Pos Late	100015791	2500	797.6531
sphingomyelin (d18:2/24:1, d18:1/24:2)*	Lipid	Sphingomyelins	52437	LC/MS Pos Late	100008957	2750	811.6687	85336023
sphingomyelin (d18:2/24:2)*	Lipid	Sphingomyelins	57479	LC/MS Pos Late	100015789	2400	809.6531
sphingosine	Lipid	Sphingosines	17747	LC/MS Pos Late	297	1393	300.2897	5280335	123-78-4	C00319	HMDB0000252
stachydrine	Xenobiotics	Food Component/Plant	34384	LC/MS Pos Early	100001296	1440	144.1019	115244	4136-37-2	C10172	HMDB0004827
stearate (18:0)	Lipid	Long Chain Saturated Fatty Acid	1358	LC/MS Neg	439	5872	283.2643	5281	57-11-4	C01530	HMDB0000827
stearidonate (18:4n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	33969	LC/MS Neg	100001229	5395	275.2017	5312508	111174-40-4	C16300	HMDB0006547
stearoyl ethanolamide	Lipid	Endocannabinoid	38625	LC/MS Pos Late	100002254	1787	328.321	27902	111-57-9		HMDB0013078
stearoyl sphingomyelin (d18:1/18:0)	Lipid	Sphingomyelins	19503	LC/MS Pos Late	1538	2450	731.6062	6453725	85187-10-6;85187-10-6	C00550	HMDB0001348
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*	Lipid	Diacylglycerol	57450	LC/MS Pos Late	100010949	3404	662.5718	6438587		C00165	HMDB0007170
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*	Lipid	Diacylglycerol	57449	LC/MS Pos Late	100010950	3522	662.5718	6438587			HMDB0007170
stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [1]*	Lipid	Diacylglycerol	57387	LC/MS Pos Late	100015616	3156	686.5718				HMDB0056061
stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]*	Lipid	Diacylglycerol	57368	LC/MS Pos Late	100015617	3256	686.5718
stearoylcarnitine (C18)	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated)	34409	LC/MS Pos Late	100001391	1485	428.3734	3006797	18822-91-8		HMDB0000848
suberate (C8-DC)	Lipid	Fatty Acid, Dicarboxylate	15730	LC/MS Polar	100000016	2577.6	173.0819	10457	505-48-6	C08278	HMDB0000893
succinate	Energy	TCA Cycle	1437	LC/MS Polar	252	3149	117.0193	1110	110-15-6	C00042	HMDB0000254
succinoyltaurine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	63678	LC/MS Polar	100021220	2572	224.0234
succinylcarnitine (C4-DC)	Energy	TCA Cycle	37058	LC/MS Pos Early	100001948	2291	262.1285	71464481	256928-74-2		HMDB0061717
sucrose	Carbohydrate	Disaccharides and Oligosaccharides	1519	LC/MS Polar	935	3092	387.1144	5988	57-50-1	C00089	HMDB0000258
sulfate*	Xenobiotics	Chemical	46960	LC/MS Neg	100002528	616	96.9601	5152822	14808-79-8	C00059	HMDB01448
tartronate (hydroxymalonate)	Xenobiotics	Food Component/Plant	20693	LC/MS Neg	100000840	610	118.9986	45	80-69-3	C02287	HMDB0035227
taurine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	2125	LC/MS Neg	512	690	124.0074	1123	107-35-7	C00245	HMDB0000251
tauro-beta-muricholate	Lipid	Primary Bile Acid Metabolism	33983	LC/MS Neg	100001250	4774	514.2844	121596216;168408;21124703	25696-60-0		HMDB0000932
taurochenodeoxycholate	Lipid	Primary Bile Acid Metabolism	18494	LC/MS Neg	1629	5250	498.2895	387316	6009-98-9	C05465	HMDB0000951
taurocholate	Lipid	Primary Bile Acid Metabolism	18497	LC/MS Neg	1648	5150	514.2844	46783527;6675	145-42-6	C05122	HMDB0000036
taurocyamine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	35117	LC/MS Pos Early	100001418	710	168.0437	68340	543-18-0	C01959	HMDB0003584
taurodeoxycholate	Lipid	Secondary Bile Acid Metabolism	12261	LC/MS Neg	1668	5257.4	498.2895	2733768	207737-97-1	C05463	HMDB0000896
taurohyodeoxycholic acid	Lipid	Secondary Bile Acid Metabolism	43588	LC/MS Neg	100003869	5073	498.2895	12443252	38411-85-7		HMDB0000874
tauroursodeoxycholate	Lipid	Secondary Bile Acid Metabolism	39378	LC/MS Neg	100002912	5025	498.2895	9848818	14605-22-2		HMDB0000874
tetracosadienoylcarnitine (C24:2)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated)	57524	LC/MS Pos Late	100015847	1542	508.4361
tetradecadienoate (14:2)*	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	62850	LC/MS Neg	100020343	5292	223.1704	5312409	39039-37-7		HMDB0000560
tetradecanedioate (C14)	Lipid	Fatty Acid, Dicarboxylate	35669	LC/MS Neg	100001613	3985	257.1758	13185	821-38-5		HMDB0000872
thiamin (Vitamin B1)	Cofactors and Vitamins	Thiamine Metabolism	5341	LC/MS Pos Early	873	3050	265.1118	1130	59-43-8	DG00125,C00378,D08580	HMDB0000235
thiamin monophosphate	Cofactors and Vitamins	Thiamine Metabolism	15798	LC/MS Pos Early	523	2378	345.0781	1131;3382778	532-40-1	C01081	HMDB0002666
thioproline	Xenobiotics	Chemical	53231	LC/MS Pos Early	100009232	1250	134.027	93176	34592-47-4
threonate	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	27738	LC/MS Polar	100001022	2384	135.0299	5460407;151152	70753-61-6	C01620	HMDB0000943,HMDB0062620
threonine	Amino Acid	Glycine, Serine and Threonine Metabolism	1284	LC/MS Pos Early	564	1514	120.0655	6288	72-19-5	C00188	HMDB0000167
threonylphenylalanine	Peptide	Dipeptide	31530	LC/MS Neg	100001125	2322	265.1194	7010580	16875-27-7		HMDB0029068
thymidine	Nucleotide	Pyrimidine Metabolism, Thymine containing	2183	LC/MS Neg	872	1963.7	241.083	5789	50-89-5	C00214	HMDB0000273
TMP	Nucleotide	Pyrimidine Metabolism, Thymine containing	12023	LC/MS Neg	1248	883	321.0493	9700	33430-62-5	C00364	HMDB0001227
thymine	Nucleotide	Pyrimidine Metabolism, Thymine containing	604	LC/MS Neg	882	1654	125.0357	1135	65-71-4	C00178	HMDB0000262
tiglyl carnitine (C5)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	35428	LC/MS Pos Early	100001597	2962	244.1543	22833596	64191-86-2		HMDB0002366
trans-2-hexenoylglycine	Lipid	Fatty Acid Metabolism (Acyl Glycine)	61798	LC/MS Neg	100019884	2707	170.0823
hydroxyproline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	32306	LC/MS Pos Early	1001	1064	132.0655	5810	51-35-4	C01157	HMDB0000725
trans-urocanate	Amino Acid	Histidine Metabolism	607	LC/MS Pos Early	537	2285	139.0502	736715	104-98-3	C00785	HMDB0000301
tricarballylate	Energy	TCA Cycle	15729	LC/MS Neg	2053	578	175.0248	14925	99-14-9	C19806	HMDB0031193
tricosanoyl sphingomyelin (d18:1/23:0)*	Lipid	Sphingomyelins	52436	LC/MS Pos Late	100008955	3350	801.6844				HMDB0012105
trigonelline (N'-methylnicotinate)	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	32401	LC/MS Pos Early	100001092	1388	138.055	5570	535-83-1	C01004	HMDB0000875
trimethylamine N-oxide	Lipid	Phospholipid Metabolism	40406	LC/MS Pos Early	100003397	2100	76.0757	1145	1184-78-7	C01104	HMDB0000925
tryptophan	Amino Acid	Tryptophan Metabolism	54	LC/MS Pos Early	565	2986	205.0972	6305	73-22-3	C00078	HMDB0000929
tyramine	Amino Acid	Tyrosine Metabolism	1603	LC/MS Pos Early	1133	2540	138.0913	5610	60-19-5	C00483	HMDB0000306
tyrosine	Amino Acid	Tyrosine Metabolism	1299	LC/MS Neg	815	1322	180.0666	6057	60-18-4	C00082	HMDB0000158
tyrosol	Amino Acid	Tyrosine Metabolism	41515	LC/MS Neg	100003493	2716	137.0608	10393	501-94-0	C06044	HMDB0004284
tyrosylglycine	Peptide	Dipeptide	41375	LC/MS Neg	100003598	1635	237.0881	7021854	673-05-5		HMDB0029105
UDP-galactose	Carbohydrate	Nucleotide Sugar	15860	LC/MS Polar	100000298	4000	565.0477	18068	2956-16-3;91183-98-1;137868-52-1	C00052	HMDB0000302
UDP-glucose	Carbohydrate	Nucleotide Sugar	32344	LC/MS Polar	1096	3950	565.0478	8629	117756-22-6	C00029	HMDB0000286
UDP-glucuronate	Carbohydrate	Nucleotide Sugar	2763	LC/MS Neg	1097	588	579.027	17473	28053-08-9;63700-19-6	C00167	HMDB0000935
UDP-N-acetylglucosamine/galactosamine	Carbohydrate	Nucleotide Sugar	46148	LC/MS Polar	100002957	3665	606.0743	44576;1167		C00203,C00043	HMDB0000304,HMDB0000290
uracil	Nucleotide	Pyrimidine Metabolism, Uracil containing	605	LC/MS Polar	825	1089.7	111.02	1174	66-22-8	C00106	HMDB0000300
urate	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	1604	LC/MS Neg	1134	757.1	167.0211	1175	69-93-2;120K5305	C00366	HMDB0000289
urea	Amino Acid	Urea cycle; Arginine and Proline Metabolism	1670	LC/MS Pos Early	533	700	121.072	1176	57-13-6	C00086	HMDB0000294
uric acid ribonucleoside*	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	62102	LC/MS Neg	100002682	1200	299.0633	164933	2124-54-1	C05513	HMDB0029920
uridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	606	LC/MS Neg	535	1457.6	243.0623	6029	58-96-8	C00299	HMDB0000296
uridine 5'-diphosphate (UDP)	Nucleotide	Pyrimidine Metabolism, Uracil containing	5345	LC/MS Neg	870	599.5	402.9949	6031	21931-53-3	C00015	HMDB0000295
UMP	Nucleotide	Pyrimidine Metabolism, Uracil containing	2856	LC/MS Pos Early	869	590	325.0432	6030	3387-36-8	C00105	HMDB0000288
uridine 5'-triphosphate (UTP)	Nucleotide	Pyrimidine Metabolism, Uracil containing	33448	LC/MS Neg	871	572	482.9613	6133	19817-92-6	C00075	HMDB0000285
uridine-2',3'-cyclic monophosphate	Nucleotide	Pyrimidine Metabolism, Uracil containing	37137	LC/MS Neg	75	1090	305.018	439715	40632-52-8	C02355	HMDB0011640
ursocholate	Lipid	Secondary Bile Acid Metabolism	57573	LC/MS Neg	100002913	4648	407.2803	122340	2955-27-3	C17644	HMDB0000917
ursodeoxycholate	Lipid	Secondary Bile Acid Metabolism	1605	LC/MS Neg	1135	5055	391.2854	31401	128-13-2	C07880	HMDB0000946
valerate (5:0)	Lipid	Short Chain Fatty Acid	33443	LC/MS Neg	1136	1718	101.0608	7991	109-52-4	C00803	HMDB0000892
valerylglycine (C5)	Lipid	Fatty Acid Metabolism (Acyl Glycine)	36768	LC/MS Neg	100001451	2071	158.0823	4737557	24003-66-5		HMDB0000927
valine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	1649	LC/MS Pos Early	566	2479	118.0863	6287	72-18-4	C00183	HMDB0000883
valylglutamine	Peptide	Dipeptide	42079	LC/MS Neg	100003640	1484	244.1303	5253209	42854-54-6		HMDB0029125
valylglycine	Peptide	Dipeptide	40475	LC/MS Neg	100003641	1506	173.0932	136487	686-43-1		HMDB0029127
valylleucine	Peptide	Dipeptide	39994	LC/MS Pos Early	100003210	3138	231.1703	352039	22906-55-4		HMDB0029131
xanthine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	3147	LC/MS Neg	1004	910	151.0262	1188	69-89-6	C00385	HMDB0000292
xanthosine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	15136	LC/MS Neg	100000299	1075	283.0684	64959	146-80-5	C01762	HMDB0000299
xanthosine 5'-monophosphate (xmp)	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	12024	LC/MS Neg	1251	580	363.0347	73323	25899-70-1	C00655	HMDB0001554
xanthurenate	Amino Acid	Tryptophan Metabolism	15679	LC/MS Neg	100000015	1476	204.0302	5699	59-007	C02470	HMDB0000881
ximenoylcarnitine (C26:1)*	Lipid	Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)	57517	LC/MS Pos Late	100015836	1607	538.483
METABOLITES_END
#END