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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME4451305312435-5555-
10-hydroxystearateRosilic acidME4451319561835-5370-
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME445116--1566-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME445117--1558-
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME445118--1649-
11-ketoetiocholanolone sulfate-ME445132--4420-
12,13-DiHOME12,13-DiHOMEME44513310236635C148295137-
1,2,3-benzenetriol sulfate (1)-ME445119--1453-
1,2,3-benzenetriol sulfate (2)-ME445120--1709-
12-dehydrocholate12-Ketochenodeoxycholic acidME44513494235-4871-
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)-ME445121--1941-
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*MGDG 18:3/0:0/18:3ME4451225282287C138712046-
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*-ME445123--2256-
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*-ME4451246535011-2415-
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME4451255288075-2006-
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME445126452110D035852365-
1,3,7-trimethylurate1,3,7-Trimethyluric acidME44512779437C163611985-
1,3-dimethylurate1,3-Dimethyluric acidME44512870346-1671.4-
13-HODE + 9-HODEHODEME44513543013-5275-
13-HOTrE13S-HOTrEME44513616061072-1313-
(15:0)-anacardic acidAnacardic acidME445113167551C107595895-
(15:2)-anacardic acidAnacardic acidME44511411824131-5565-
15-methylpalmitate (i17:0)15-Methylpalmitic acidME44513717903417-5695-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME445138--4240-
1,7-dimethylurate1,7-Dimethyluric acidME44512991611C163561578.6-
17-methylstearate (i19:0)Xi-17-Methyloctadecanoic acidME4451393083779-5993-
1-linolenoyl-2-hexadecatrienoyl-galactosylglycerol...-ME445140--1911-
1-linolenoylglycerol (18:3)MG 18:3ME44514153480978-6214-
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:...DGDG 18:2_18:3ME445142--2073-
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/...MGDG 18:2_18:3ME445143--2209-
1-linoleoylglycerol (18:2)MG 18:2ME4451445283469-6477-
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME44514511988421C041001465-
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME44514652925130-1482-
1-methyladenine1-MethyladenineME44514778821C022162133-
1-methyl-beta-carboline-3-carboxylic acid-ME4451495406157-3190-
1-methylguanidineMethylguanidineME44515010111C022942149-
1-methylhistamine1-MethylhistamineME4451513614C051273040-
1-methylimidazoleacetateMethylimidazoleacetic acidME44515275810C058282064-
1-methylnicotinamide1-Methyl nicotinamideME44515310129985C029181940-
1-methylurate1-Methyluric acidME44515469726C163591461-
1-methylxanthine1-MethylxanthineME44515580220C163581568.8-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*PC 18:1_18:2ME445156--2165-
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME4451575283468-6650-
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME44515816081932-1540-
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME4451599547071-1554-
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME445160--5610-
1-oleoyl-GPI (18:1)*LPI 18:1/0:0ME445161--5599-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME44516210747814-2091-
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:...DGDG 16:0_18:3ME445163--2278-
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0...DGDG 16:0_18:2ME445164--2498-
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/1...MGDG 16:0_18:2ME445165--2731-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME4451665287971-2160-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME4451679546747-2275-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME445168--910-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME4451696436017-2358-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME4451705283496-2509-
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME44517186554-1525-
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME4451729547069-1544-
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME4451733300276-5570-
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME445174--5564-
1-palmitoyl-GPS (16:0)*LPS 16:0/0:0ME4451759547100-5572-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME445176--2380-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME445177--2644-
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME445178497299-1606-
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME4451799547068-1626-
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME445180--5816-
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME445181--5794-
1-stearoyl-GPS (18:0)*LPS 18:0/0:0ME4451829547101-5800-
20-hydroxyecdysone20-HydroxyecdysoneME4451915459840C026334021-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME445192134595-3935-
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME445184301941-1318-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME445185677C040391050-
2,3-dimethylsuccinate-ME44518611848-2800-
2,4,6-trihydroxybenzoate2,4,6-Trihydroxybenzoic acidME44518766520-1574-
2,4-dihydroxyhydrocinnamate-ME44518896384-1759-
2-(4-hydroxyphenyl)propionate4-Hydroxyphenyl-2-propionic acidME445183102526C030801797.3-
2,8-quinolinediolQuinoline-2,8-diolME44518997250C063422514-
2,8-quinolinediol sulfate-ME445190--2612-
2-acetamidobutanoate-ME445193306107-1340-
2-aminoadipatealpha-Aminoadipic acidME445194469C00956639.2-
2-aminoheptanoate2-Aminoheptanoic acidME445195227939-3160-
2-aminophenol2-AminophenolME4451965801C019872644-
2-aminophenol sulfate2-Aminophenyl sulfateME445197181670-1677-
2'-deoxyadenosineDeoxyadenosineME44519813730C005592252-
2'-deoxyadenosine 5'-monophosphatedAMPME44519912599C003601284-
2'-deoxycytidineDeoxycytidineME44520013711C008812193-
2'-deoxycytidine 5'-monophosphatedCMPME44545513945C00239975-
2'-deoxyguanosineDeoxyguanosineME445201187790C003301751-
2'-deoxyinosineDeoxyinosineME44520265058C055121688-
2'-deoxyuridineDeoxyuridineME44520313712C005261586-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME445204164623-1800-
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME44520586290013-1674-
2-hydroxybehenate2-Hydroxy behenic acidME445206193484-6384-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME445207--1258-
2-hydroxydecanoate2-Hydroxycapric acidME44520821488-4840-
2-hydroxyglutarate2-Hydroxyglutaric acidME44520943C026303352.8-
2-hydroxyhippurate (salicylurate)Salicyluric acidME44521010253C075882184-
2-hydroxyibuprofen2-HydroxyibuprofenME44521110443535-3462-
2-hydroxylaurate2-Hydroxylauric acidME44521297783-5211-
2-hydroxypalmitate2-Hydroxypalmitic acidME44521392836-5511.2-
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME44521411970C05852858.6-
2-isopropylmalate2-Isopropylmalic acidME44521577C025042605-
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME445216161227C002041900-
2-linoleoylglycerol (18:2)MG 18:2ME4452175365676-6250-
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME44521886290014-1949-
2-methylcitrate/homocitrateHomocitric acidME445219--575-
2-methylserine2-MethylserineME44522094309C021151652-
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME4452215319879-6500-
2'-O-methyluridine2'-O-MethyluridineME445222102212-1831-
2-oxindole-3-acetate2-Oxindole-3-acetateME4452233080590-2378-
2-oxo-1-pyrrolidinepropionate-ME4452243146688-1600-
2-oxoarginine*2-OxoarginineME445225558C037711760-
2-palmitoylglycerol (16:0)MG 0:0/16:0/0:0ME445226123409-6400-
2-piperidinone2-PiperidinoneME44522712665-1675-
3-(2-hydroxyphenyl)propionate3-(2-Hydroxyphenyl)propanoic acidME445228873C011982530-
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME44522991C114571980-
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME445230187488-1294-
3,4-dihydroxybenzoateProtocatechuic acidME44523572C00230729-
3,4-dihydroxyphenylacetate3,4-Dihydroxybenzeneacetic acidME445236547C011611040-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME4452319378C036721390.6-
3-(4-hydroxyphenyl)propionateDesaminotyrosineME44523210394C017441670-
3,5-dihydroxybenzoic acid3,5-Dihydroxybenzoic acidME4452377424-785.4-
3,7-dimethylurate3,7-Dimethyluric acidME44523883126C163601418.2-
3-aminoisobutyrate3-Aminoisobutanoic acidME44523964956C051452190-
3beta-hydroxy-5-cholestenoateCholestenoic acidME445240165511C173335398-
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME44524192997-5205-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME445242123979-2800-
3-carboxyadipate-ME445243222467-571-
3-(cystein-S-yl)acetaminophen*3-(Cystein-S-yl)acetaminophenME4452335233914-2420-
3-dehydrocholate3-Dehydrocholic acidME445244159655-5050-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME445245188979-975-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME4452461662C037612850-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME445247441C010891444-
3-hydroxycinnamatetrans-m-Coumaric acidME445248637541C126211960-
3-hydroxydecanoate3-Hydroxydecanoic acidME44524926612-4634.7-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME445250151492-1725-
3-hydroxyhippurate3-Hydroxyhippuric acidME445251450268-1687-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME44525287C060011619-
3-hydroxylaurate3-Hydroxydodecanoic acidME44525394216-5175-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME44525426613-3446-
3-hydroxypalmitate3-Hydroxyhexadecanoic acidME445255301590-5476-
3-hydroxyphenylacetate3-Hydroxyphenylacetic acidME44525612122C055931220-
3-hydroxypyridine3-HydroxypyridineME4452577971-2292-
3-hydroxyquinine3-HydroxyquinineME445258441264C073443271-
3-hydroxysebacate3-Hydroxysebacic acidME4452593017884-1282-
3-hydroxysuberate3-Hydroxysuberic acidME44526022328017-644-
3-hydroxyvalerate3-Hydroxyvaleric acidME445261107802-1241-
3-indoxyl sulfateIndoxyl sulfateME44526210258-2222.2-
3-ketosphinganine3-KetosphinganineME445263631C029341400-
3-methyl-2-oxobutyrateKetoisovaleric acidME44526449C00141911-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME44526547C006712064.2-
3-methyladipate3-Methyladipic acidME44526612292-2865-
3-methylglutaconate3E-Methylglutaconic acidME4452671551553-2700-
3-methylglutarate/2-methylglutarateMethylglutaric acidME445268--2832-
3-methylhistidine3-MethylhistidineME44526964969C011522670-
3-methylurate*3-Methyluric acidME44527011804-1024-
3-methylxanthine3-MethylxanthineME44527170639C163571700-
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME44523483967-2094-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME445272107C056292860-
3-sulfo-L-alanineCysteic acidME44527372886C00506570-
3-ureidopropionateUreidopropionic acidME445274111C02642875-
4-acetamidobenzoate4-Acetamidobenzoic acidME44527519266D038361403-
4-acetamidobutanoate4-Acetamidobutanoic acidME44527618189C029461350-
4-acetamidophenolAcetaminophenME4452771983C068042173.7-
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME44527883944-1400-
4-acetaminophen sulfateParacetamol sulfateME44527983939C068041792-
4-cholesten-3-oneCholestenoneME44528091477C005992520-
4-ethylphenylsulfate4-EthylphenolME445281-C136373580-
4-guanidinobutanoate4-Guanidinobutanoic acidME445282500C010352320-
4-hydroxybenzoate4-Hydroxybenzoic acidME445283135C001561305-
4-hydroxybenzyl alcohol4-Hydroxybenzyl alcoholME445284125C174672215-
4-hydroxychlorothalonil4-HydroxychlorothalonilME44528534217-4427-
4-hydroxycinnamatecis-p-Coumaric acidME445286637542C008111457-
4-hydroxycyclohexylcarboxylic acid4-Hydroxycyclohexylcarboxylic acidME445287151138C044042005-
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME445288439902C030791141-
4-hydroxyhippurate4-Hydroxyhippuric acidME445289151012-1475-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME445290127C006421361-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME445291979C011791690-
4-imidazoleacetateImidazoleacetic acidME44529296215C028352055-
4-methyl-2-oxopentanoateKetoleucineME44529370C002332170-
4-methylcatechol sulfate-ME445294--2665-
4-methylthio-2-oxobutanoate2-Oxo-4-methylthiobutanoic acidME445295473C011801635-
4-oxo-retinoic acid-ME4452966437063-1298-
4-ureidobutyrate-ME4452971571307-1095-
5-(2-Hydroxyethyl)-4-methylthiazole5-(2-Hydroxyethyl)-4-methylthiazoleME4452981136C042942310-
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME44529988299C163661710-
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME445300108214C163651424-
5alpha-androstan-3alpha,17alpha-diol disulfate-ME445301--4547-
5alpha-androstan-3alpha,17alpha-diol monosulfate-ME445302--5208-
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME445303--4275-
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME445304--4925-
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME445305--4215-
5alpha-androstan-3beta,17alpha-diol monosulfate (1...-ME445306--4806-
5alpha-androstan-3beta,17alpha-diol monosulfate (2...-ME445307--5095-
5alpha-androstan-3beta,17beta-diol disulfate-ME445308242332C125253880-
5alpha-androstan-3beta,17beta-diol monosulfate (1)-ME445309--4635-
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME445310--4685-
5alpha-pregnan-3(alpha or beta),20beta-diol disulf...-ME4453115127902-4310-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME445312--3962-
5alpha-pregnan-3beta,20alpha-diol monosulfate (1)-ME445313--4928-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME445314--5060-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME445315--5180-
5alpha-pregnan-3beta-ol,20-one sulfate-ME445316--5136-
5-aminovalerate5-Aminopentanoic acidME445317138C004312220-
5-dodecenoate (12:1n7)5-Dodecenoic acidME4453185312378-5224-
5-hydroxy-2-indolecarboxylic acid-ME44531988958-1270-
5-hydroxyhexanoate5-Hydroxycaproic acidME445320170748-1267-
5-hydroxylysine5-HydroxylysineME4453211029C167412790-
5-hydroxymethylfurfural5-Hydroxymethyl-2-furancarboxaldehydeME445322237332C111011542-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME445323439176C001702752-
5-methyluridine (ribothymidine)RibothymidineME445324445408-1778.1-
5-oxoprolinePyroglutamic acidME4453257405C01879738.5-
6-hydroxynicotinate6-Hydroxynicotinic acidME44532672924C010202000-
6-oxolithocholate6-Ketolithocholic acidME445327164960-5033-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME4453283014237-965-
7-ketocholesterol7-Oxo-cholesterolME44532991474-2413-
7-ketodeoxycholate7-Ketodeoxycholic acidME445330188292-4821-
7-ketolithocholate7-Ketolithocholic acidME445331444262-5082-
7-methylguanine7-MethylguanineME44533211361C022422175-
7-methylurate7-Methyluric acidME44533369160C163551321-
7-methylxanthine7-MethylxanthineME44533468374C163531350-
8-hydroxyguanine8-HydroxyguanineME44533565154C20155951-
8-hydroxyoctanoate8-Hydroxyoctanoic acidME44533669820-2300-
9,10-DiHOME9,10-DiHOMEME4453379966640C148285180-
acesulfameAcesulfameME44533836573-756-
acetylcarnitine (C2)CAR 2:0ME4453391C025712282-
acisogaAcisogaME445340129397-1813-
adenineAdenineME445341190C001472221-
adenosineAdenosineME44534260961C002122169-
adenosine-2',3'-cyclic monophosphate2',3' cyclic AMPME4453432024C023531793-
adenosine 5'-monophosphate (AMP)AMPME4453586083C000201013-
adipate (C6-DC)Adipic acidME445344196C061043000-
agmatineAgmatineME445345199C001793057-
alanineAlanineME4453465950C000411700-
alanylleucineAla-LeuME445347259583-3055-
allantoinAllantoinME445348204C023501672-
allo-threonineAllothreonineME44534999289C055192511.1-
alpha-CEHC sulfatealpha-CEHC sulfateME445350--3090-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME44535183697C032641840-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME44535299823-1052-
alpha-ketoglutarate2-Oxoglutaric acidME44535351C000262700-
alpha-methylornithine-ME4453542113-2630-
alpha-tocopherolalpha-TocopherolME44535514985C024772522-
alpha-tocopherol acetateTocopherol acetateME4453562117C132022702-
alpha-tocotrienolalpha-TocotrienolME4453575282347C141531986-
androstenediol (3alpha, 17alpha) monosulfate (2)-ME445359--4712-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME44536087120982C042953740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME44536187120982C042954065-
androstenediol (3beta,17beta) monosulfate (1)-ME44536213847309-4535-
androstenediol (3beta,17beta) monosulfate (2)-ME445363--4500-
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME445364159663-5022-
anserineAnserineME445365112072C012622924-
anthranilate2-Aminobenzoic acidME445366227C001082606-
apigeninApigeninME4453675280443C014773845-
arabinoseArabinoseME44536866308C002161804.5-
arabitol/xylitolArabitolME4453696912C019041932.4-
arabonate/xylonateArabinonic acid/Xylonic acidME445370--2700-
arachidate (20:0)Arachidic acidME44537110467C064256240-
arachidonate (20:4n6)Arachidonic acidME445372444899C002195535-
arachidoylcarnitine (C20)*CAR 20:0ME445374--1512-
arachidoyl ethanolamide (20:0)*Eicosanoyl-EAME4453733787294-1941-
argininate*Argininic acidME445375160437-2150-
arginineArginineME445376232C000622825-
argininosuccinateArgininosuccinic acidME445377828C034062745-
asparagineAsparagineME4453786267C001521225-
aspartateAspartic acidME4453795960C000491165-
atenololAtenololME4453802249D002352668-
azelate (C9-DC)Azelaic acidME4453812266C082611276-
azithromycinAzithromycinME4453822269C06838918-
behenate (22:0)*Behenic acidME4453838215C082816745-
behenoylcarnitine (C22)*CAR 22:0ME445385--1561-
behenoyl ethanolamide (22:0)*Behenoyl-EAME4453843023585-2164-
benzoateBenzoic acidME445386243C001801750-
benzoylecgonineBenzoyl ecgonineME445387442997C108473061-
berberineBerberineME445388--795-
beta-alaninebeta-AlanineME445389239C000991905-
beta-cryptoxanthinCryptoxanthinME4453906384256-2560-
beta-guanidinopropanoate3-Guanidinopropanoic acidME44539167701C030652145-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME44539269362-1149.8-
betaineBetaineME445393247C007191064-
beta-muricholatebeta-Muricholic acidME4453945283853C177264794-
beta-sitosterolSitosterolME445395222284C017533054-
bilirubin (E,E)*BilirubinME4453975315454-1045-
bilirubin (E,Z or Z,E)*BilirubinME4453985799469-1265-
bilirubin (Z,Z)BilirubinME4453965280352C004861840-
biliverdinBiliverdinME4453995353439C005004695.6-
biochanin ABiochanin AME4454005280373C008144681.8-
biotinBiotinME445401171548C001202253-
bufotenineBufoteninME44540210257C082992564-
butyrylglutamine/isobutyrylglutamine-ME445403--1526-
butyrylglycineN-ButyrylglycineME44540488412-1470-
cadaverineCadaverineME445405273C016723036-
caffeateCaffeic acidME445406689043C011971165-
caffeic acid sulfate-ME445407--870-
caffeineCaffeineME4454082519C074812106-
campesterolCampesterolME445409173183C017892873-
caprate (10:0)Capric acidME4454102969C015715090.7-
caproate (6:0)Caproic acidME4454118892C015852713.7-
caprylate (8:0)Caprylic acidME445412379C064234362-
capsaicinCapsaicinME4454131548943C068661165-
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME4454142572-2085-
carboxyibuprofenCarboxyibuprofenME44541510444113-1920-
carnitineCarnitineME44541610917C003181978-
carnosineCarnosineME445417439224C00386804-
carotene diol (1)Carotene diolME445418--1720-
carotene diol (2)Carotene diolME445419--1904-
carotene diol (3)Carotene diolME445420--1948-
catechol sulfateCatechol sulfateME4454213083879-1906-
ceramide (d16:1/24:1, d18:1/22:1)*Cer 40:2;O2ME445422--3850-
ceramide (d18:1/14:0, d16:1/16:0)*Cer 36:1;O2ME445423--2477-
ceramide (d18:1/17:0, d17:1/18:0)*Cer 35:1;O2ME445424--3055-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*Cer 38:1;O2ME445425--3920-
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME445426--3858-
cerotoylcarnitine (C26)*CAR 26:0ME445427--1649-
cetirizineCetirizineME4454282678C077781052-
chenodeoxycholateChenodeoxycholic acidME44542910133C025285264-
chiro-inositol1D-chiro-InositolME445430-C198913191.2-
cholateCholic acidME445431221493C006955165-
cholate sulfate-ME445432--4557-
cholesterolCholesterolME44543311025495C001872707-
cholineCholineME445434305C001141961-
choline phosphateCholine phosphateME4458401014C00588700-
chrysoeriolChrysoeriolME4454355280666C042933870-
ciliatine (2-aminoethylphosphonate)CiliatineME445436339C03557736-
cinnamatetrans-Cinnamic acidME445437444539C004232878-
cis-4-hydroxycyclohexylacetic acidcis-4-Hydroxycyclohexylacetic acidME445438--1185-
cis-urocanateUrocanic acidME4454391549103-1200-
citrateCitric acidME445440311C00158582-
citrullineCitrullineME4454419750C003271520-
coprostanolCoprostanolME445442221122-2850-
creatineCreatineME445443586C003001947-
creatinineCreatinineME445444588C007912055-
curcuminCurcuminME445445969516C104435142-
cysteineCysteineME4454465862C000971488-
cysteine s-sulfateCysteine-S-sulfateME445447115015C05824640.9-
cysteine sulfinic acid3-Sulfino-alanineME445448109C00606597-
cysteinylglycineCys-GlyME445449439498C014192132-
cystineCystineME44545067678C004912000-
cytidineCytidineME4454516175C004752124-
cytidine 2',3'-cyclic monophosphate2',3' cyclic CMPME445452417654C02354769-
cytosineCytosineME445453597C003802060-
daidzeinDaidzeinME4454545281708C102083566-
dehydroisoandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME44545612594C045554745-
dehydrolithocholateDehydrolithocholic acidME445457159623-5360-
delta-tocopheroldelta-TocopherolME44545892094C141512259-
deoxycarnitine3-DehydroxycarnitineME445459134C011812052-
deoxycholateDeoxycholic acidME445460222528C044835294-
deoxycholic acid sulfate-ME445461--4880-
deoxymugineic acid-ME445462--1036-
dexlansoprazoleDexlansoprazoleME4454639578005D08903827-
dexpanthenolPantothenolME4454644678D037261740-
dextromethorphanDextromethorphanME4454655362449C06947904-
diacetylchitobioseN,N'-DiacetylchitobioseME445466439544C01674790-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*DG 34:3ME445467--2733-
diaminopimelate2,6-Diaminopimelic acidME445468439283C006662569-
diethanolamineDiethanolamineME4454698113C067721960-
digalacturonic acidDigalacturonic acidME4454706857565C02273603.5-
diglycerolDiglycerolME44547142953-818-
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME4454726439848C165255730-
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME4454735280581C032425596-
dihomo-linolenoylcarnitine (20:3n3 or 6)*CAR 20:3ME445474--1392-
dihydoxyphenylalanine (L-DOPA)DOPAME4454756047C003552215-
dihydrocaffeate3,4-Dihydroxyhydrocinnamic acidME445476348154C104471430-
dihydroferulic acidDihydroferulic acidME44547714340-1928-
dihydroorotate4,5-Dihydroorotic acidME445478648C003371910-
dimethylarginine (SDMA + ADMA)DimethylarginineME445479123831C036262850-
dimethylglycineDimethylglycineME445480673C010261104-
dimethylmalonic acidDimethylmalonic acidME44548111686-2702-
diosmetinDiosmetinME4454825281612C100384081-
diosminDiosminME4454835702226-3905-
diphenhydramineDiphenhydramineME4454843100C06960911-
dipicolinate2,6-Pyridinedicarboxylic acidME44548510367-1695-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME4454865282807C165336034-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME445487445580C064295525-
docosapentaenoate (n3 DPA; 22:5n3)DPAME4454886441454C165135571-
dodecanedioate (C12-DC)Dodecanedioic acidME44548912736C026782990-
dopamineDopamineME445490681C037582385-
dopamine 3-O-sulfateDopamine 3-O-sulfateME445491122136C136901556.2-
D-urobilinD-UrobilinME4454926276321C05795935-
ectoineEctoineME445493126041C062311980-
eicosanoylsphingosine (d20:1)*C20 SphingosineME445494--1443-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME445495446284C064285450-
eicosenoate (20:1)cis-Gondoic acidME4454965282768C165265950-
enterodiolEnterodiolME445497123725-4327-
enterolactoneEnterolactoneME44549810685477-4515-
epiandrosterone sulfateEpiandrosteroneME4454999929317-4855-
epicatechinEpicatechinME44550072276C097272868-
ergosterolErgosterolME445501444679C016942420-
eriodictyolEriodictyolME44550211095C056313120-
erucate (22:1n9)cis-Erucic acidME4455035281116C083166355.6-
erucoylcarnitine (C22:1)*CAR 22:1ME445504--1535-
erythronate*Erythronic acidME4455052781043-2186-
erythroseErythroseME44550694176C01796780-
escitalopramEscitalopramME445507146570D07913908-
ethylmalonateEthylmalonic acidME44550811756-2785-
famotidineFamotidineME4455095702160D003182718-
fenofibrateFenofibrateME4455103339C075861480-
ferulatetrans-Ferulic acidME445511445858C014941755-
ferulic acid 4-sulfateFerulic acid 4-sulfateME4455126305574-1200-
feruloylputrescineSubaphyllineME4455135281796C104972862-
fexofenadineFexofenadineME4455143348C06999944-
flavin mononucleotide (FMN)FMNME445515710C000612390-
formiminoglutamateFormiminoglutamic acidME445516439233C004391880-
fructoseFructoseME4455175984C000952065-
fucitolFucitolME4455183429-816.1-
fucoseFucoseME44551919466C01018750-
fumarateFumaric acidME445520444972C001223084-
furaneol sulfate-ME445521--1900-
gabapentinGabapentinME4455223446D003322407.4-
galactonateGalactonic acidME445523128869C008803085-
galacturonateGalacturonic acidME44552484740C083483527.2-
gamma-CEHCgamma-CEHCME445525133098-3843-
gamma-glutamylalaninegamma-GlutamylalanineME445526440103-1986-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME44552765254-2784-
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME4455287015685-2717-
gamma-glutamylglutamategamma-Glutamylglutamic acidME44552992865C05282598.3-
gamma-glutamylglutaminegamma-GlutamylglutamineME445530150914C052831430-
gamma-glutamylglycinegamma-GlutamylglycineME445531165527-1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME4455327017195-2740-
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME44553314253342-2940-
gamma-glutamylleucinegamma-GlutamylleucineME445534151023-2991-
gamma-glutamylmethioninegamma-GlutamylmethionineME4455357009567-2640-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME445536111299-1825-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME44553794340-2518-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME445538--2384-
gamma-tocotrienolgamma-TocotrienolME4455395282349C141551918-
genisteinGenisteinME4455405280961C065633754-
gentisateGentisic acidME4455413469C00628905-
gentisic acid-5-glucoside-ME44554210914066-1434-
gluconateGluconic acidME44554310690C002572922-
glucoseGlucoseME44554479025C000312342-
glucuronateGlucuronic acidME445545444791C001913233.3-
glutamateGlutamic acidME445546611C000251500-
glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME44554768662-2170-
glutamineGlutamineME4455485961C000641291-
glutaminylleucineGln-LeuME44554918218208-3009-
glutamyl-meso-diaminopimelate-ME445550--2555-
glutarate (C5-DC)Glutaric acidME445551743C004892900-
glycerateGlyceric acidME445552752C002582070.4-
glycerolGlycerolME445553753C00116758-
glycerol 3-phosphatesn-Glycero-3-phosphateME445554754C00093580-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME445555123874C01233659-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME445556439964C03274520-
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME445557167572-516-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME44555871920C00670672-
glycerophosphoserine*sn-Glycero-3-phosphoserineME4455593081457-577-
glycineGlycineME445560750C000371375-
glyciteinGlyciteinME4455615317750C145363245-
glycochenodeoxycholateGlycochenodeoxycholic acidME44556212544C054665236.1-
glycocholateGlycocholic acidME44556310140C019215163-
glycocholenate sulfate*Glycocholenate sulfateME445564--4750-
glycodeoxycholateGlycodeoxycholic acidME4455653035026C054645281-
glycolithocholate sulfate*Sulfoglycolithocholic acidME44556672222C113015011-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME445567--3414-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME445568--2623-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME445569--3053-
glycoursodeoxycholateGlycoursodeoxycholic acidME44557012310288-5033-
glycylisoleucineGly-IleME44557188079-3002-
glycylleucineGly-LeuME44557292843C021553059-
glycylvalineGly-ValME44557397417-2734-
glycyrrhetinateGlycyrrhetinic acidME44557418526330C022835371.4-
guanidinoacetateGuanidoacetic acidME445575763C005811937-
guanineGuanineME445576764C002422032-
guanosineGuanosineME4455776802C003871728-
guanosine-2',3'-cyclic monophosphate2',3' cyclic GMPME44557892823C061941480-
harmaneHarmanME4455795281404C092093234-
hemeHemeME44558026945C000321124-
heptadecasphingosine (d17:1)C17 SphingosineME4455815283557-1377-
heptanoate (7:0)Heptylic acidME4455828094C177143670-
hesperetinHesperetinME44558372281C017093679-
hesperidinHesperidinME44558410621C097553867-
hexadecadienoate (16:2n6)Hexadecadienoic acidME445585--5398-
hexadecanedioate (C16-DC)Hexadecanedioic acidME44558610459C196154615-
hexadecasphinganine (d16:0)*C16 SphinganineME445587656816C139151300-
hexadecasphingosine (d16:1)*C16 SphingosineME445588--1289-
hexadecatrienoate (16:3n3)7,10,13-Hexadecatrienoic acidME4455895312428-5330-
hexanoylglycineHexanoylglycineME44559099463-2900-
hippurateHippuric acidME445591464C015862106.9-
histamineHistamineME445592774C003883035-
histidineHistidineME4455936274C00135755.9-
histidylalanineHis-AlaME445594351667-3014-
homocitrullineHomocitrullineME44559565072C024271908-
homovanillate sulfateHomovanillic acidME44559629981063-1047-
hydantoin-5-propionic acidHydantoin-5-propionic acidME445597782C055651045-
hydrochlorothiazideHydrochlorothiazideME4455983639C070412046-
hydroxymethylpyrimidine4-Amino-5-hydroxymethyl-2-methylpyrimidineME445599777C012792207-
hyocholateHyocholic acidME44560192805C176495046-
hypoxanthineHypoxanthineME445602790C002621291.2-
ibuprofenIbuprofenME4456033672D001264925-
imidazole lactateImidazolelactic acidME445604440129C055682040-
imidazole propionateImidazole propanoateME44560570630-2263-
indoleIndoleME445606798C004634302-
indole-3-acetamide1H-Indole-3-acetamideME445607397C026932306-
indole-3-carboxylic acidIndole-3-carboxylic acidME44560869867C198371710-
indoleacetateIndoleacetic acidME445609802C009542200-
indoleacetylaspartate-ME445610446620-1685-
indolelactateIndolelactic acidME44561192904C020432286-
indolepropionate3-Indolepropionic acidME4456123744-2795-
indolin-2-oneIndolin-2-oneME445613321710C123122575-
inosineInosineME4456146021C002941269-
isobutyrylglycineIsobutyrylglycineME44561510855600-1420-
isocaproate (i6:0)Isocaproic acidME44561612587-2570-
isoleucineIsoleucineME4456176306C004072800-
isoleucylglycineIle-GlyME445618342532-1992-
isoursodeoxycholateIsoursodeoxycholic acidME445619127601C176624809-
isovalerate (i5:0)Isovaleric acidME44562010430C082621564-
isovalerylglycineIsovalerylglycineME445621546304-1950-
I-urobilinogenMesobilirubinogenME44562226818C057904190-
kynurenateKynurenic acidME4456233845C017172224-
kynurenineKynurenineME445624161166C003282739-
lactateLactic acidME445625612C001861468.8-
lactobionateLactobionic acidME4456267314-645-
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*LacCer 18:1;O2/22:0ME445627--3842-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME445628--3778-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME445629--2527-
LAHSA (18:2/OH-18:0)*-ME445630--2936-
lanosterolLanosterolME445631246983C017242687-
laurate (12:0)Lauric acidME4456323893C026795300-
laurylcarnitine (C12)CAR 12:0ME44563310427569-1235-
leucineLeucineME4456346106C001232864-
leucylalanineLeu-AlaME445635259321-2801-
leucylglutamine*Leu-GlnME4456364305457-2620-
leucylglycineLeu-GlyME44563779070-2050-
levulinate (4-oxovalerate)Levulinic acidME44563811579-1433-
lignoceroylcarnitine (C24)*CAR 24:0ME445640--1603-
lignoceroyl ethanolamide (24:0)*-ME445639--2445-
limoninLimoninME445641179651D00173,C035143340-
linoleate (18:2n6)Linoleic acidME4456425280450C015955535-
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME4456435280934C064265450-
linolenoylcarnitine (C18:3)*CAR 18:3ME445644--1310-
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]*DG 18:3_18:3ME445645--2229-
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]*DG 18:3_18:3ME445646--2268-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME445648--2624-
linoleoylcarnitine (C18:2)*CAR 18:2ME4456496450015-1430-
linoleoyl ethanolamideLinoleoyl-EAME4456475283446-6150-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*DG 18:2_18:3ME445650--2426-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*DG 18:2_18:3ME445651--2478-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME445652--2689-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*DG 18:2_18:2ME445653--2760-
liquiritigeninLiquiritigeninME4456541889C097623345-
lisinoprilLisinoprilME4456553937-3292-
lithocholateLithocholic acidME4456569903C039905372-
loperamideLoperamideME4456573955C070801075-
loratadineLoratadineME4456583957D003641031-
L-urobilinL-UrobilinME4456595280818C057934624-
lysineLysineME4456605962C000472850-
lysylleucineLys-LeuME4456614682588-3370-
malateMalic acidME445662525C00149615.6-
maleateMaleic acidME445663444266C013842640-
malonateMalonic acidME445664867C003833447-
malonylcarnitineCAR DC3:0ME44566522833583-2086-
maltitol/lactitol/cellobiotol/palatinol-ME445666--750-
maltolMaltolME4456678369C119181896-
maltoseMaltoseME44566810991489C002083329.4-
maltotetraoseMaltotetraoseME445669446495C02052910-
maltotrioseMaltotrioseME445670439586C01835812-
mannitol/sorbitolSorbitolME4456715780C007942320-
mannoseMannoseME44567218950C001592200-
margarate (17:0)Margaric acidME44567310465-5731-
margaroylcarnitine (C17)*CAR 17:0ME445674--1424-
metforminMetforminME4456754091C071512817-
methionineMethionineME4456766137C000732526-
methionine sulfoneMethionine sulfoneME44567769961-1250-
methionine sulfoxideMethionine sulfoxideME445678158980C029891272-
methyl glucopyranoside (alpha + beta)Methyl glucoseME445679--832-
methyl indole-3-acetateIndole-3-methyl acetateME44568074706-3380-
methylmalonate (MMA)Methylmalonic acidME445681487C021703078.4-
methylphosphateMethanolphosphateME44568213130-544-
methylsuccinateMethylsuccinic acidME44568310349-2800-
metoprolol acid metabolite*-ME44568462936-2950-
mevalonateMevalonic acidME445685439230C021041462-
mevalonate 5-diphosphate5-Diphosphomevalonic acidME445686439418C01143575-
mevalonolactoneMevalonolactoneME44568710428-1375-
m-tyraminem-TyramineME44568811492-2701-
myo-inositolMyo-inositolME445689892C001373506.3-
myristate (14:0)Myristic acidME44569011005C064245440-
myristoleate (14:1n5)Myristoleic acidME4456915281119C083225346.9-
myristoylcarnitine (C14)CAR 14:0ME4456926426854-1350-
N('1)-acetylspermidineN1-AcetylspermidineME445693496C006123075-
N(1)-acetylspermineN1-AcetylspermineME445694916C025673356-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME44569869698C058421668-
N1-methyladenosine1-MethyladenosineME44514827476C024942120-
N1,N12-diacetylspermineN1,N12-DiacetylspermineME445697132680C034133105-
N2-acetyllysineN(2)-AcetyllysineME44570092907C129893372.6-
N-(2-furoyl)glycine2-FuroylglycineME44569521863-1600-
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...-ME445696--2692-
N2,N5-diacetylornithineN2,N5-DiacetylornithineME44569910398396-1310-
N6-acetyllysineN6-AcetyllysineME44570292832C027271059-
N6-carboxyethyllysineN(6)-(2-Carboxyethyl)-lysineME445703--680-
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME445704123800-2500-
N6-formyllysine-ME44570570923-1992-
N6-methyladenosineN6-MethyladenosineME4457061869-2264-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME445701440120C037932825-
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME445707193270-2100-
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME445708193270-2056-
N-acetylalanineN-AcetylalanineME44570988064C02847861.2-
N-acetylarginineN-AcetylarginineME44571067427C025622245-
N-acetylasparagineN-AcetylasparagineME44571199715-785-
N-acetylaspartate (NAA)N-Acetylaspartic acidME44571265065C010423143-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME4457135255C12270575.3-
N-acetyl-beta-glucosaminylamineN-Acetyl-beta-glucosaminylamineME445714439454C01239759-
N-acetyl-cadaverineN-AcetylcadaverineME445715189087-2385-
N-acetylcitrullineN-AcetylcitrullineME445716656979C15532940-
N-acetylcysteineN-AcetylcysteineME44571712035C068091416-
N-acetylglucosamine 6-sulfateGlucosamine 6-sulfateME445718193456C041321777-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME44571924139-715-
N-acetylglucosaminylasparagineAspartylglycosamineME445720123826C045401212-
N-acetylglutamateN-Acetylglutamic acidME44572170914C006241050-
N-acetylglutamineN-AcetylglutamineME445722182230C02716845-
N-acetylglycineN-AcetylglycineME44572310972-1780-
N-acetylhistamineN-AcetylhistamineME44572469602C051352287-
N-acetylhistidineN-AcetylhistidineME44572575619C029972065-
N-acetylisoleucineN-AcetylisoleucineME4457262802421-2325-
N-acetylleucineN-AcetylleucineME44572770912C027102400-
N-acetylmethionineN-AcetylmethionineME445728448580C027121787-
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME445729193368-880-
N-acetylmuramateN-Acetylmuramic acidME4457305462244C02713860-
N-acetylneuraminateN-Acetylneuraminic acidME445731439197C00270660-
N-acetylphenylalanineN-AcetylphenylalanineME44573274839C035192597-
N-acetylprolineN-Acetyl-prolineME445733322640-1695-
N-acetylputrescineN-AcetylputrescineME445734122356C027142230-
N-acetylpyrralineDehydroepiandrosteroneME445735--2545-
N-acetylserotoninN-AcetylserotoninME445736903C009781975-
N-acetylsphingosineCer 18:1;O2/2:0ME4457375497136C001956000-
N-acetyltaurineN-AcetyltaurineME445738159864-800-
N-acetylthreonineN-AcetylthreonineME445739152204-821.6-
N-acetyltryptophanN-Acetyl-tryptophanME445740700653C031372630-
N-acetyltyrosineN-AcetyltyrosineME44574168310-1680-
N-acetylvalineN-AcetylvalineME44574266789-1704-
N-alpha-acetylornithineN-AcetylornithineME445743439232C004372000-
naringeninNaringeninME445744932C005093437-
narirutinNarirutinME445745442431C097933700-
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME445746--3911-
N-carbamoylalanineN-CarbamoylalanineME445747426409-950-
N-carbamoylaspartateN-Carbamoylaspartic acidME44574893072C004383800-
N-carbamoylglutamateCarglumic acidME445749121396C05829865-
N-carbamoylsarcosineN-CarbamoylsarcosineME445750439375C01043920-
N-delta-acetylornithineN(5)-Acetyl-ornithineME4457519920500-1877-
neoponcirin-ME445752--4385.6-
nervonate (24:1n9)*Nervonic acidME4457535281120C083236804-
nervonoylcarnitine (C24:1)*CAR 24:1ME445754--1602-
N-formylanthranilic acidFormylanthranilic acidME445755101399C056532150-
N-formylmethionineN-FormylmethionineME445756439750C031451543.8-
N-formylphenylalanineN-FormylphenylalanineME445757759256-2360-
N-glycolylneuraminateN-Glycoloylneuraminic acidME445758123802C03410636-
nicotianamine(R,S,S)-NicotianamineME4457599882882C053241800-
nicotinamideNiacinamideME445760936C001531942-
nicotinamide ribosideNicotinamide ribosideME445761439924C031502040-
nicotinateNicotinic acidME445762938C002531673-
nicotinate ribonucleosideD-RibosylnicotinateME445763161234C058411536-
nicotinic acid mononucleotide (NaMN)Nicotinic acid mononucleotideME4457645288991C01185648-
N-methylalanineN-MethylalanineME4457655288725C027211536-
N-methyl-GABA4-(Methylamino)butyric acidME44576670703C159872109-
N-methylglutamateN-Methyl-glutamic acidME445767439377C010461300-
N-methylhydantoinN-MethylhydantoinME44576869217C025651425-
N-methylleucine-ME4457692777993-2787-
N-methylphenylalanine-ME4457704657542-2790-
N-methylpipecolateN-methyl pipecolic acidME44577111286529-1932-
N-methylprolineN-Methyl-prolineME445772557-1335-
N-methyltaurineN-MethyltaurineME4457737882-1650-
N-methyltryptophan-ME445774914C029832910-
N-monomethylarginineTarginineME445775132862C038842845-
nonadecanoate (19:0)Nonadecylic acidME44577612591C165356068-
norvalineNorvalineME445777824C018262582-
N-palmitoylglycineN-Palmitoyl glycineME445778151008-5580-
N-palmitoylserineN-Palmitoyl serineME4457796453686-5557-
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME4457805283572-3090-
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME4457815283564-2893-
N-palmitoyltaurineN-Palmitoyl taurineME445782--5560-
N-propionylalanine-ME445783321155-1335-
N-propionylmethionineN-propionylmethionineME445784103692-2290-
N-stearoyl-sphinganine (d18:0/18:0)*Cer 18:0;O2/18:0ME4457855283573-3526-
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME4457865283565-3392-
N-stearoyltaurineN-Stearoyl taurineME445787168274-5782-
N-trimethyl 5-aminovalerate-ME445788--2186-
O-acetylhomoserineO-Acetyl-homoserineME445789439389C010771850-
OAHSA (18:1/OH-18:0)-ME445790--3384-
octadecanedioate (C18-DC)Octadecanedioic acidME44579170095-5043-
o-hydroxyatorvastatin-ME4457929808225-5015-
oleanolateOleanolic acidME44579310494C171485563-
oleate/vaccenate (18:1)Oleic acidME445794--5655-
oleoylcarnitine (C18:1)CAR 18:1ME4457966441392-1423-
oleoylcholineOleoylcholineME445797--1449-
oleoyl ethanolamideOleoyl-EAME4457955283454-1661-
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*DG 18:1_18:3ME445798--2819-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME445799--3115-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME445800--3223-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*DG 18:1_18:1ME445801--3571-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*DG 18:1_18:1ME445802--3695-
ornithineOrnithineME4458036262C000772800-
orotateOrotic acidME445804967C002951638.1-
orotidineOrotidineME44580592751-2250-
O-sulfo-L-tyrosineSulfotyrosineME445806514186-990-
oxalate (ethanedioate)Oxalic acidME445807971C00209603-
PAHSA (16:0/OH-18:0)-ME445808--3411-
palmitate (16:0)Palmitic acidME445809985C002495618-
palmitoleate (16:1n7)Palmitoleic acidME445810445638C083625475-
palmitoleoylcarnitine (C16:1)*CAR 16:1ME44581171464547-1357-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME445812--2664-
palmitoylcarnitine (C16)CAR 16:0ME445816461C029901425-
palmitoylcholinePalmitoylcholineME445817151731-1482-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME4458139939965-2290-
palmitoyl ethanolamidePalmitoyl-EAME4458144671C165121643-
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*DG 16:0_18:3ME445818--2834-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*DG 16:0_18:2ME4458199543695-3080-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME445820--3197-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*DG 16:0_18:1ME445821-C138613695-
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME4458159939941-2168-
pantetheinePantetheineME445822439322C008312056-
pantothenatePantothenic acidME4458236613C008641667-
paraxanthineParaxanthineME4458244687C137471810-
p-cresolP-CresolME4458252879C014684154-
p-cresol sulfatep-Cresol sulfateME4458264615423-2890-
phenethylaminePhenylethylamineME4458271001C053323065-
phenol sulfatePhenyl hydrogen sulfateME44582874426C021802156-
phenylacetatePhenyl acetateME445829999C070862150-
phenylacetylglutamateN-Phenylacetylglutamic acidME44583011579826-2390-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME44583192258C041482330-
phenylacetylglycinePhenylacetylglycineME44583268144C055982375-
phenylalaninePhenylalanineME4458336140C000792878-
phenylalanylalaninePhe-AlaME4458345488196-2909-
phenylalanylglycinePhe-GlyME44583598207-2898-
phenyllactate (PLA)Phenyllactic acidME4458363848C056072208-
phenylpyruvatePhenylpyruvic acidME445837997C001662515-
pheophorbide APheophorbide aME4458385323510C180211562-
phosphatePhosphoric acidME4458391061C00009576-
p-hydroxyatorvastatin-ME4458419851106-4650-
p-hydroxyatorvastatin lactone-ME445842--990-
phytanatePhytanic acidME44584326840C016075908-
phytosphingosinePhytosphingosineME445844122121C121441367-
picolinatePicolinic acidME4458451018C10164910-
pimelate (C7-DC)Pimelic acidME445846385C026562745-
pipecolatePipecolic acidME445847849C004082200-
piperidinePiperidineME4458488082C017462500-
piperinePiperineME445849638024C038821168-
ponciretin-ME4458505118250-4365-
pregnanolone/allopregnanolone sulfate3alpha-Hydroxy-5beta-pregnane-20-oneME445852--5160-
pregnen-diol disulfate C21H34O8S2*-ME445853--3868-
pregnenolone sulfatePregnenolone sulfateME445854105074-5100-
pregn steroid monosulfate C21H34O5S*-ME445851--5000-
pristanatePristanic acidME445855123929-5773-
pro-hydroxy-proPro-hydroxyProME44585811673055-2128-
prolineProlineME445856145742C001481603-
prolylglycinePro-GlyME4458576426709-2136-
propionylglycinePropionylglycineME44585998681-960-
protoporphyrin IXProtoporphyrinME4458604971C021911417-
pseudoephedrinePseudoephedrineME4458617028C027653041-
pseudouridinePseudouridineME44586215047C02067800-
pterinPterinME44586373000C007151805-
putrescinePutrescineME4458641045C001343027-
pyridoxalPyridoxalME4458651050C002502343-
pyridoxaminePyridoxamineME4458661052C005342975-
pyridoxate4-Pyridoxic acidME4458676723C008472185-
pyridoxine (Vitamin B6)PyridoxineME4458681054C003142442-
pyroglutamine*PyroglutamineME445869134508-1900-
pyrralinePyrralineME445870122228-2304-
pyruvatePyruvic acidME4458711060C000222650-
quinateQuinic acidME4458726508C002962432.9-
quinineQuinineME4458732728270-3378-
quinolinateQuinolinic acidME4458741066C03722845-
ranitidineRanitidineME4458753001055D004222910-
rhoifolin-ME4458765282150C126273725-
ribitolRibitolME4458776912C004741789.6-
riboflavin (Vitamin B2)RiboflavinME445878493570C002552292-
ribonateRibonic acidME4458795460677C016852425-
riboseRiboseME4458805779C001211508.2-
ribulose/xyluloseXyluloseME4458815289590-1400-
rosmarinateRosmarinic acidME4458825281792C018502785-
(R)-salsolinol(R)-SalsolinolME44511554456C096422525-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME4458831196C043221528-
saccharinSaccharinME4458845143D010852000-
saccharopineSaccharopineME445885160556C00449640-
salicylateSalicylic acidME445886338C00805802-
S-allylcysteineS-AllylcysteineME44588798280-2690-
sarcosineSarcosineME4458881088C002131280-
S-carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME4458891080C037271490-
sebacate (C10-DC)Sebacic acidME4458905192C082771788-
secoisolariciresinolSecoisolariciresinolME44589165373C181673945-
secoisolariciresinol diglucoside-ME4458929917980-3380-
sedoheptuloseGlucoheptuloseME4458935459879-681-
serineSerineME4458945951C000651239-
serotoninSerotoninME4458955202C007802550-
sertralineSertralineME44589668617C072461070-
silibininSilibininME44589731553D085153655-
sitostanolDihydro-sitosterolME44589815559396C196443300-
skatol3-MethylindoleME4458996736C083134875-
S-methylcysteineMethylcysteineME44590024417-1955-
S-methylmethionineS-MethylmethionineME445901458C053192555-
solanidineSolanidineME44590265727C065431010-
spermidineSpermidineME4459031102C003153355-
sphingadienineSphingadienineME4459046449795-1350-
sphinganineSphinganineME4459053126C008361413-
sphingosineSphingosineME4459065353955C003191393-
stachydrineStachydrineME445907115244C101721440-
stearate (18:0)Stearic acidME4459085281C015305872-
stearidonate (18:4n3)Stearidonic acidME4459095312508C163005395-
stearoylcarnitine (C18)CAR 18:0ME4459116426855-1485-
stearoyl ethanolamideStearoyl-EAME44591027902-1787-
steviolSteviolME445912452967C202125327-
stigmasterolStigmasterolME4459135280794C054422875-
suberate (C8-DC)Suberic acidME44591410457C08278804.3-
succinateSuccinic acidME4459151110C000423149-
succinimideSuccinimideME44591611439C072732155-
succinylcarnitine (C4-DC)CAR DC4:0ME44591771464481-2291-
sucraloseSucraloseME44591871485C122853140-
sucroseSucroseME4459195988C000893092-
sulfate*SulfateME4459201118C00059616-
syringic acidSyringic acidME44592110742C108331450-
tartarateTartaric acidME445922444305C00898615.3-
taurineTaurineME4459231123C00245660-
taurochenodeoxycholateTaurochenodeoxycholic acidME445924387316C054655250-
taurocholateTaurocholic acidME4459256675C051225150-
taurocholenate sulfateTaurocholenate sulfateME445926--4750-
taurodeoxycholateTaurodeoxycholic acidME4459272733768C054635257.4-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME445928440071C036425027-
tauroursodeoxycholateTauroursodeoxycholic acidME4459299848818-5025-
tetrahydrocortisoneTetrahydrocortisoneME4459305866C054705121-
theanineN(5)-Ethyl-glutamineME445931439378C010472180-
theobromineTheobromineME4459325429C074801600-
theophyllineTheophyllineME4459332153C071301870-
thiamin (Vitamin B1)ThiamineME4459341130C003783050-
thioprolineThioprolineME44593593176-1250-
threonateThreonic acidME445936151152C016202384-
threonineThreonineME4459376288C001881514-
threonylphenylalanineThr-PheME4459384099799-2322-
thymidineThymidineME4459395789C002141963.7-
thymidine 5'-monophosphateTMPME4459429700C00364883-
thymineThymineME4459401135C001781654-
tiglylcarnitine (C5:1-DC)CAR DC5:1ME44594122833596-2962-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME4456005810C011571064-
trans-nonadecenoate (tr 19:1)*-ME445943--5824-
trans-urocanateUrocanic acidME445944736715C007852285-
trazadoneTrazodoneME4459455533C07156,D086263498-
tribuloside-ME4459465320686C171403933-
tricarballylate1,2,3-Propanetricarboxylic acidME44594714925C19806578-
tridecanedioate (C13-DC)Tridecanedioic acidME44594810458-3530-
trigonelline (N'-methylnicotinate)TrigonellineME4459495570C010041388-
trimethylamine N-oxideTrimethylamine N-oxideME4459501145C011042100-
tryptamineTryptamineME4459511150C003983062-
tryptophanTryptophanME4459526305C000782986-
tryptophan betaineLenticinME445953442106C092132673-
tryptophylglycineTrp-GlyME445954263471-2930-
tyramineTyramineME4459555610C004832540-
tyramine O-sulfateTyramine-O-sulfateME445956153005-1565-
tyrosineTyrosineME4459576057C000822430-
tyrosolTyrosolME44595810393C060442716-
tyrosylglycineTyr-GlyME445959259323-1635-
undecanedioate (C11-DC)Undecanedioic acidME44596015816-2440-
uracilUracilME4459611174C001061086-
urateUric acidME4459621175C00366757.1-
uridineUridineME4459636029C002991457.6-
uridine-2',3'-cyclic monophosphate2',3' cyclic UMPME445964439715C023551090-
ursocholateUrsocholic acidME445965--4648-
ursodeoxycholateUrsodeoxycholic acidME44596631401C078805055-
ursodeoxycholate sulfate (1)-ME445967--4328-
ursodeoxycholate sulfate (2)-ME445968--4538-
valerate (5:0)Valeric acidME4459697991C008031718-
valerylglycineValerylglycineME4459704737557-2071-
valerylphenylalanine-ME44597113890536-4176-
valineValineME4459726287C001832479-
valine betaine-ME445973--1370-
valsartanValsartanME4459745650-1092-
valylglutamineVal-GlnME4459755253209-2295-
valylglycineVal-GlyME445976136487-1506-
valylleucineVal-LeuME445977352039-3138-
vanillactateVanillactic acidME445978160637-1625-
vanillateVanillic acidME4459798468C066721100-
vanillinVanillinME4459801183C007552311.9-
xanthineXanthineME4459811188C003851032-
xanthosineXanthosineME44598264959C017621075-
xanthurenateXanthurenic acidME4459835699C024701476-
xyloseXyloseME445984135191C001811727-


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME4460025312435-5555-
10-hydroxystearateRosilic acidME4460039561835-5370-
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME445988--1566-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME445989--1558-
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME445990--1649-
11-ketoetiocholanolone sulfate-ME446004--4420-
12,13-DiHOME12,13-DiHOMEME44600510236635C148295137-
1,2,3-benzenetriol sulfate (1)-ME445991--1453-
1,2,3-benzenetriol sulfate (2)-ME445992--1709-
12-dehydrocholate12-Ketochenodeoxycholic acidME44600694235-4871-
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)-ME445993--1941-
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*MGDG 18:3/0:0/18:3ME4459945282287C138712046-
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*-ME445995--2256-
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*-ME4459966535011-2415-
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME4459975288075-2006-
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME445998452110D035852365-
1,3,7-trimethylurate1,3,7-Trimethyluric acidME44599979437C163611985-
1,3-dimethylurate1,3-Dimethyluric acidME44600070346-1671.4-
13-HODE + 9-HODEHODEME44600743013-5275-
13-HOTrE13S-HOTrEME44600816061072-1313-
(15:0)-anacardic acidAnacardic acidME445985167551C107595895-
(15:2)-anacardic acidAnacardic acidME44598611824131-5565-
15-methylpalmitate (i17:0)15-Methylpalmitic acidME44600917903417-5695-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME446010--4240-
1,7-dimethylurate1,7-Dimethyluric acidME44600191611C163561578.6-
17-methylstearate (i19:0)Xi-17-Methyloctadecanoic acidME4460113083779-5993-
1-linolenoyl-2-hexadecatrienoyl-galactosylglycerol...-ME446012--1911-
1-linolenoylglycerol (18:3)MG 18:3ME44601353480978-6214-
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:...DGDG 18:2_18:3ME446014--2073-
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/...MGDG 18:2_18:3ME446015--2209-
1-linoleoylglycerol (18:2)MG 18:2ME4460165283469-6477-
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME44601711988421C041001465-
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME44601852925130-1482-
1-methyladenine1-MethyladenineME44601978821C022162133-
1-methyl-beta-carboline-3-carboxylic acid-ME4460215406157-3190-
1-methylguanidineMethylguanidineME44602210111C022942149-
1-methylhistamine1-MethylhistamineME4460233614C051273040-
1-methylimidazoleacetateMethylimidazoleacetic acidME44602475810C058282064-
1-methylnicotinamide1-Methyl nicotinamideME44602510129985C029181940-
1-methylurate1-Methyluric acidME44602669726C163591461-
1-methylxanthine1-MethylxanthineME44602780220C163581568.8-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*PC 18:1_18:2ME446028--2165-
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME4460295283468-6650-
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME44603016081932-1540-
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME4460319547071-1554-
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME446032--5610-
1-oleoyl-GPI (18:1)*LPI 18:1/0:0ME446033--5599-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME44603410747814-2091-
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:...DGDG 16:0_18:3ME446035--2278-
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0...DGDG 16:0_18:2ME446036--2498-
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/1...MGDG 16:0_18:2ME446037--2731-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME4460385287971-2160-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME4460399546747-2275-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME446040--910-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME4460416436017-2358-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME4460425283496-2509-
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME44604386554-1525-
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME4460449547069-1544-
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME4460453300276-5570-
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME446046--5564-
1-palmitoyl-GPS (16:0)*LPS 16:0/0:0ME4460479547100-5572-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME446048--2380-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME446049--2644-
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME446050497299-1606-
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME4460519547068-1626-
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME446052--5816-
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME446053--5794-
1-stearoyl-GPS (18:0)*LPS 18:0/0:0ME4460549547101-5800-
20-hydroxyecdysone20-HydroxyecdysoneME4460635459840C026334021-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME446064134595-3935-
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME446056301941-1318-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME446057677C040391050-
2,3-dimethylsuccinate-ME44605811848-2800-
2,4,6-trihydroxybenzoate2,4,6-Trihydroxybenzoic acidME44605966520-1574-
2,4-dihydroxyhydrocinnamate-ME44606096384-1759-
2-(4-hydroxyphenyl)propionate4-Hydroxyphenyl-2-propionic acidME446055102526C030801797.3-
2,8-quinolinediolQuinoline-2,8-diolME44606197250C063422514-
2,8-quinolinediol sulfate-ME446062--2612-
2-acetamidobutanoate-ME446065306107-1340-
2-aminoadipatealpha-Aminoadipic acidME446066469C00956639.2-
2-aminoheptanoate2-Aminoheptanoic acidME446067227939-3160-
2-aminophenol2-AminophenolME4460685801C019872644-
2-aminophenol sulfate2-Aminophenyl sulfateME446069181670-1677-
2'-deoxyadenosineDeoxyadenosineME44607013730C005592252-
2'-deoxyadenosine 5'-monophosphatedAMPME44607112599C003601284-
2'-deoxycytidineDeoxycytidineME44607213711C008812193-
2'-deoxycytidine 5'-monophosphatedCMPME44632713945C00239975-
2'-deoxyguanosineDeoxyguanosineME446073187790C003301751-
2'-deoxyinosineDeoxyinosineME44607465058C055121688-
2'-deoxyuridineDeoxyuridineME44607513712C005261586-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME446076164623-1800-
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME44607786290013-1674-
2-hydroxybehenate2-Hydroxy behenic acidME446078193484-6384-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME446079--1258-
2-hydroxydecanoate2-Hydroxycapric acidME44608021488-4840-
2-hydroxyglutarate2-Hydroxyglutaric acidME44608143C026303352.8-
2-hydroxyhippurate (salicylurate)Salicyluric acidME44608210253C075882184-
2-hydroxyibuprofen2-HydroxyibuprofenME44608310443535-3462-
2-hydroxylaurate2-Hydroxylauric acidME44608497783-5211-
2-hydroxypalmitate2-Hydroxypalmitic acidME44608592836-5511.2-
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME44608611970C05852858.6-
2-isopropylmalate2-Isopropylmalic acidME44608777C025042605-
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME446088161227C002041900-
2-linoleoylglycerol (18:2)MG 18:2ME4460895365676-6250-
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME44609086290014-1949-
2-methylcitrate/homocitrateHomocitric acidME446091--575-
2-methylserine2-MethylserineME44609294309C021151652-
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME4460935319879-6500-
2'-O-methyluridine2'-O-MethyluridineME446094102212-1831-
2-oxindole-3-acetate2-Oxindole-3-acetateME4460953080590-2378-
2-oxo-1-pyrrolidinepropionate-ME4460963146688-1600-
2-oxoarginine*2-OxoarginineME446097558C037711760-
2-palmitoylglycerol (16:0)MG 0:0/16:0/0:0ME446098123409-6400-
2-piperidinone2-PiperidinoneME44609912665-1675-
3-(2-hydroxyphenyl)propionate3-(2-Hydroxyphenyl)propanoic acidME446100873C011982530-
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME44610191C114571980-
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME446102187488-1294-
3,4-dihydroxybenzoateProtocatechuic acidME44610772C00230729-
3,4-dihydroxyphenylacetate3,4-Dihydroxybenzeneacetic acidME446108547C011611040-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME4461039378C036721390.6-
3-(4-hydroxyphenyl)propionateDesaminotyrosineME44610410394C017441670-
3,5-dihydroxybenzoic acid3,5-Dihydroxybenzoic acidME4461097424-785.4-
3,7-dimethylurate3,7-Dimethyluric acidME44611083126C163601418.2-
3-aminoisobutyrate3-Aminoisobutanoic acidME44611164956C051452190-
3beta-hydroxy-5-cholestenoateCholestenoic acidME446112165511C173335398-
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME44611392997-5205-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME446114123979-2800-
3-carboxyadipate-ME446115222467-571-
3-(cystein-S-yl)acetaminophen*3-(Cystein-S-yl)acetaminophenME4461055233914-2420-
3-dehydrocholate3-Dehydrocholic acidME446116159655-5050-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME446117188979-975-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME4461181662C037612850-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME446119441C010891444-
3-hydroxycinnamatetrans-m-Coumaric acidME446120637541C126211960-
3-hydroxydecanoate3-Hydroxydecanoic acidME44612126612-4634.7-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME446122151492-1725-
3-hydroxyhippurate3-Hydroxyhippuric acidME446123450268-1687-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME44612487C060011619-
3-hydroxylaurate3-Hydroxydodecanoic acidME44612594216-5175-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME44612626613-3446-
3-hydroxypalmitate3-Hydroxyhexadecanoic acidME446127301590-5476-
3-hydroxyphenylacetate3-Hydroxyphenylacetic acidME44612812122C055931220-
3-hydroxypyridine3-HydroxypyridineME4461297971-2292-
3-hydroxyquinine3-HydroxyquinineME446130441264C073443271-
3-hydroxysebacate3-Hydroxysebacic acidME4461313017884-1282-
3-hydroxysuberate3-Hydroxysuberic acidME44613222328017-644-
3-hydroxyvalerate3-Hydroxyvaleric acidME446133107802-1241-
3-indoxyl sulfateIndoxyl sulfateME44613410258-2222.2-
3-ketosphinganine3-KetosphinganineME446135631C029341400-
3-methyl-2-oxobutyrateKetoisovaleric acidME44613649C00141911-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME44613747C006712064.2-
3-methyladipate3-Methyladipic acidME44613812292-2865-
3-methylglutaconate3E-Methylglutaconic acidME4461391551553-2700-
3-methylglutarate/2-methylglutarateMethylglutaric acidME446140--2832-
3-methylhistidine3-MethylhistidineME44614164969C011522670-
3-methylurate*3-Methyluric acidME44614211804-1024-
3-methylxanthine3-MethylxanthineME44614370639C163571700-
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME44610683967-2094-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME446144107C056292860-
3-sulfo-L-alanineCysteic acidME44614572886C00506570-
3-ureidopropionateUreidopropionic acidME446146111C02642875-
4-acetamidobenzoate4-Acetamidobenzoic acidME44614719266D038361403-
4-acetamidobutanoate4-Acetamidobutanoic acidME44614818189C029461350-
4-acetamidophenolAcetaminophenME4461491983C068042173.7-
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME44615083944-1400-
4-acetaminophen sulfateParacetamol sulfateME44615183939C068041792-
4-cholesten-3-oneCholestenoneME44615291477C005992520-
4-ethylphenylsulfate4-EthylphenolME446153-C136373580-
4-guanidinobutanoate4-Guanidinobutanoic acidME446154500C010352320-
4-hydroxybenzoate4-Hydroxybenzoic acidME446155135C001561305-
4-hydroxybenzyl alcohol4-Hydroxybenzyl alcoholME446156125C174672215-
4-hydroxychlorothalonil4-HydroxychlorothalonilME44615734217-4427-
4-hydroxycinnamatecis-p-Coumaric acidME446158637542C008111457-
4-hydroxycyclohexylcarboxylic acid4-Hydroxycyclohexylcarboxylic acidME446159151138C044042005-
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME446160439902C030791141-
4-hydroxyhippurate4-Hydroxyhippuric acidME446161151012-1475-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME446162127C006421361-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME446163979C011791690-
4-imidazoleacetateImidazoleacetic acidME44616496215C028352055-
4-methyl-2-oxopentanoateKetoleucineME44616570C002332170-
4-methylcatechol sulfate-ME446166--2665-
4-methylthio-2-oxobutanoate2-Oxo-4-methylthiobutanoic acidME446167473C011801635-
4-oxo-retinoic acid-ME4461686437063-1298-
4-ureidobutyrate-ME4461691571307-1095-
5-(2-Hydroxyethyl)-4-methylthiazole5-(2-Hydroxyethyl)-4-methylthiazoleME4461701136C042942310-
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME44617188299C163661710-
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME446172108214C163651424-
5alpha-androstan-3alpha,17alpha-diol disulfate-ME446173--4547-
5alpha-androstan-3alpha,17alpha-diol monosulfate-ME446174--5208-
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME446175--4275-
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME446176--4925-
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME446177--4215-
5alpha-androstan-3beta,17alpha-diol monosulfate (1...-ME446178--4806-
5alpha-androstan-3beta,17alpha-diol monosulfate (2...-ME446179--5095-
5alpha-androstan-3beta,17beta-diol disulfate-ME446180242332C125253880-
5alpha-androstan-3beta,17beta-diol monosulfate (1)-ME446181--4635-
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME446182--4685-
5alpha-pregnan-3(alpha or beta),20beta-diol disulf...-ME4461835127902-4310-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME446184--3962-
5alpha-pregnan-3beta,20alpha-diol monosulfate (1)-ME446185--4928-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME446186--5060-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME446187--5180-
5alpha-pregnan-3beta-ol,20-one sulfate-ME446188--5136-
5-aminovalerate5-Aminopentanoic acidME446189138C004312220-
5-dodecenoate (12:1n7)5-Dodecenoic acidME4461905312378-5224-
5-hydroxy-2-indolecarboxylic acid-ME44619188958-1270-
5-hydroxyhexanoate5-Hydroxycaproic acidME446192170748-1267-
5-hydroxylysine5-HydroxylysineME4461931029C167412790-
5-hydroxymethylfurfural5-Hydroxymethyl-2-furancarboxaldehydeME446194237332C111011542-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME446195439176C001702752-
5-methyluridine (ribothymidine)RibothymidineME446196445408-1778.1-
5-oxoprolinePyroglutamic acidME4461977405C01879738.5-
6-hydroxynicotinate6-Hydroxynicotinic acidME44619872924C010202000-
6-oxolithocholate6-Ketolithocholic acidME446199164960-5033-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME4462003014237-965-
7-ketocholesterol7-Oxo-cholesterolME44620191474-2413-
7-ketodeoxycholate7-Ketodeoxycholic acidME446202188292-4821-
7-ketolithocholate7-Ketolithocholic acidME446203444262-5082-
7-methylguanine7-MethylguanineME44620411361C022422175-
7-methylurate7-Methyluric acidME44620569160C163551321-
7-methylxanthine7-MethylxanthineME44620668374C163531350-
8-hydroxyguanine8-HydroxyguanineME44620765154C20155951-
8-hydroxyoctanoate8-Hydroxyoctanoic acidME44620869820-2300-
9,10-DiHOME9,10-DiHOMEME4462099966640C148285180-
acesulfameAcesulfameME44621036573-756-
acetylcarnitine (C2)CAR 2:0ME4462111C025712282-
acisogaAcisogaME446212129397-1813-
adenineAdenineME446213190C001472221-
adenosineAdenosineME44621460961C002122169-
adenosine-2',3'-cyclic monophosphate2',3' cyclic AMPME4462152024C023531793-
adenosine 5'-monophosphate (AMP)AMPME4462306083C000201013-
adipate (C6-DC)Adipic acidME446216196C061043000-
agmatineAgmatineME446217199C001793057-
alanineAlanineME4462185950C000411700-
alanylleucineAla-LeuME446219259583-3055-
allantoinAllantoinME446220204C023501672-
allo-threonineAllothreonineME44622199289C055192511.1-
alpha-CEHC sulfatealpha-CEHC sulfateME446222--3090-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME44622383697C032641840-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME44622499823-1052-
alpha-ketoglutarate2-Oxoglutaric acidME44622551C000262700-
alpha-methylornithine-ME4462262113-2630-
alpha-tocopherolalpha-TocopherolME44622714985C024772522-
alpha-tocopherol acetateTocopherol acetateME4462282117C132022702-
alpha-tocotrienolalpha-TocotrienolME4462295282347C141531986-
androstenediol (3alpha, 17alpha) monosulfate (2)-ME446231--4712-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME44623287120982C042953740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME44623387120982C042954065-
androstenediol (3beta,17beta) monosulfate (1)-ME44623413847309-4535-
androstenediol (3beta,17beta) monosulfate (2)-ME446235--4500-
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME446236159663-5022-
anserineAnserineME446237112072C012622924-
anthranilate2-Aminobenzoic acidME446238227C001082606-
apigeninApigeninME4462395280443C014773845-
arabinoseArabinoseME44624066308C002161804.5-
arabitol/xylitolArabitolME4462416912C019041932.4-
arabonate/xylonateArabinonic acid/Xylonic acidME446242--2700-
arachidate (20:0)Arachidic acidME44624310467C064256240-
arachidonate (20:4n6)Arachidonic acidME446244444899C002195535-
arachidoylcarnitine (C20)*CAR 20:0ME446246--1512-
arachidoyl ethanolamide (20:0)*Eicosanoyl-EAME4462453787294-1941-
argininate*Argininic acidME446247160437-2150-
arginineArginineME446248232C000622825-
argininosuccinateArgininosuccinic acidME446249828C034062745-
asparagineAsparagineME4462506267C001521225-
aspartateAspartic acidME4462515960C000491165-
atenololAtenololME4462522249D002352668-
azelate (C9-DC)Azelaic acidME4462532266C082611276-
azithromycinAzithromycinME4462542269C06838918-
behenate (22:0)*Behenic acidME4462558215C082816745-
behenoylcarnitine (C22)*CAR 22:0ME446257--1561-
behenoyl ethanolamide (22:0)*Behenoyl-EAME4462563023585-2164-
benzoateBenzoic acidME446258243C001801750-
benzoylecgonineBenzoyl ecgonineME446259442997C108473061-
berberineBerberineME446260--795-
beta-alaninebeta-AlanineME446261239C000991905-
beta-cryptoxanthinCryptoxanthinME4462626384256-2560-
beta-guanidinopropanoate3-Guanidinopropanoic acidME44626367701C030652145-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME44626469362-1149.8-
betaineBetaineME446265247C007191064-
beta-muricholatebeta-Muricholic acidME4462665283853C177264794-
beta-sitosterolSitosterolME446267222284C017533054-
bilirubin (E,E)*BilirubinME4462695315454-1045-
bilirubin (E,Z or Z,E)*BilirubinME4462705799469-1265-
bilirubin (Z,Z)BilirubinME4462685280352C004861840-
biliverdinBiliverdinME4462715353439C005004695.6-
biochanin ABiochanin AME4462725280373C008144681.8-
biotinBiotinME446273171548C001202253-
bufotenineBufoteninME44627410257C082992564-
butyrylglutamine/isobutyrylglutamine-ME446275--1526-
butyrylglycineN-ButyrylglycineME44627688412-1470-
cadaverineCadaverineME446277273C016723036-
caffeateCaffeic acidME446278689043C011971165-
caffeic acid sulfate-ME446279--870-
caffeineCaffeineME4462802519C074812106-
campesterolCampesterolME446281173183C017892873-
caprate (10:0)Capric acidME4462822969C015715090.7-
caproate (6:0)Caproic acidME4462838892C015852713.7-
caprylate (8:0)Caprylic acidME446284379C064234362-
capsaicinCapsaicinME4462851548943C068661165-
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME4462862572-2085-
carboxyibuprofenCarboxyibuprofenME44628710444113-1920-
carnitineCarnitineME44628810917C003181978-
carnosineCarnosineME446289439224C00386804-
carotene diol (1)Carotene diolME446290--1720-
carotene diol (2)Carotene diolME446291--1904-
carotene diol (3)Carotene diolME446292--1948-
catechol sulfateCatechol sulfateME4462933083879-1906-
ceramide (d16:1/24:1, d18:1/22:1)*Cer 40:2;O2ME446294--3850-
ceramide (d18:1/14:0, d16:1/16:0)*Cer 36:1;O2ME446295--2477-
ceramide (d18:1/17:0, d17:1/18:0)*Cer 35:1;O2ME446296--3055-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*Cer 38:1;O2ME446297--3920-
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME446298--3858-
cerotoylcarnitine (C26)*CAR 26:0ME446299--1649-
cetirizineCetirizineME4463002678C077781052-
chenodeoxycholateChenodeoxycholic acidME44630110133C025285264-
chiro-inositol1D-chiro-InositolME446302-C198913191.2-
cholateCholic acidME446303221493C006955165-
cholate sulfate-ME446304--4557-
cholesterolCholesterolME44630511025495C001872707-
cholineCholineME446306305C001141961-
choline phosphateCholine phosphateME4467121014C00588700-
chrysoeriolChrysoeriolME4463075280666C042933870-
ciliatine (2-aminoethylphosphonate)CiliatineME446308339C03557736-
cinnamatetrans-Cinnamic acidME446309444539C004232878-
cis-4-hydroxycyclohexylacetic acidcis-4-Hydroxycyclohexylacetic acidME446310--1185-
cis-urocanateUrocanic acidME4463111549103-1200-
citrateCitric acidME446312311C00158582-
citrullineCitrullineME4463139750C003271520-
coprostanolCoprostanolME446314221122-2850-
creatineCreatineME446315586C003001947-
creatinineCreatinineME446316588C007912055-
curcuminCurcuminME446317969516C104435142-
cysteineCysteineME4463185862C000971488-
cysteine s-sulfateCysteine-S-sulfateME446319115015C05824640.9-
cysteine sulfinic acid3-Sulfino-alanineME446320109C00606597-
cysteinylglycineCys-GlyME446321439498C014192132-
cystineCystineME44632267678C004912000-
cytidineCytidineME4463236175C004752124-
cytidine 2',3'-cyclic monophosphate2',3' cyclic CMPME446324417654C02354769-
cytosineCytosineME446325597C003802060-
daidzeinDaidzeinME4463265281708C102083566-
dehydroisoandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME44632812594C045554745-
dehydrolithocholateDehydrolithocholic acidME446329159623-5360-
delta-tocopheroldelta-TocopherolME44633092094C141512259-
deoxycarnitine3-DehydroxycarnitineME446331134C011812052-
deoxycholateDeoxycholic acidME446332222528C044835294-
deoxycholic acid sulfate-ME446333--4880-
deoxymugineic acid-ME446334--1036-
dexlansoprazoleDexlansoprazoleME4463359578005D08903827-
dexpanthenolPantothenolME4463364678D037261740-
dextromethorphanDextromethorphanME4463375362449C06947904-
diacetylchitobioseN,N'-DiacetylchitobioseME446338439544C01674790-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*DG 34:3ME446339--2733-
diaminopimelate2,6-Diaminopimelic acidME446340439283C006662569-
diethanolamineDiethanolamineME4463418113C067721960-
digalacturonic acidDigalacturonic acidME4463426857565C02273603.5-
diglycerolDiglycerolME44634342953-818-
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME4463446439848C165255730-
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME4463455280581C032425596-
dihomo-linolenoylcarnitine (20:3n3 or 6)*CAR 20:3ME446346--1392-
dihydoxyphenylalanine (L-DOPA)DOPAME4463476047C003552215-
dihydrocaffeate3,4-Dihydroxyhydrocinnamic acidME446348348154C104471430-
dihydroferulic acidDihydroferulic acidME44634914340-1928-
dihydroorotate4,5-Dihydroorotic acidME446350648C003371910-
dimethylarginine (SDMA + ADMA)DimethylarginineME446351123831C036262850-
dimethylglycineDimethylglycineME446352673C010261104-
dimethylmalonic acidDimethylmalonic acidME44635311686-2702-
diosmetinDiosmetinME4463545281612C100384081-
diosminDiosminME4463555702226-3905-
diphenhydramineDiphenhydramineME4463563100C06960911-
dipicolinate2,6-Pyridinedicarboxylic acidME44635710367-1695-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME4463585282807C165336034-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME446359445580C064295525-
docosapentaenoate (n3 DPA; 22:5n3)DPAME4463606441454C165135571-
dodecanedioate (C12-DC)Dodecanedioic acidME44636112736C026782990-
dopamineDopamineME446362681C037582385-
dopamine 3-O-sulfateDopamine 3-O-sulfateME446363122136C136901556.2-
D-urobilinD-UrobilinME4463646276321C05795935-
ectoineEctoineME446365126041C062311980-
eicosanoylsphingosine (d20:1)*C20 SphingosineME446366--1443-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME446367446284C064285450-
eicosenoate (20:1)cis-Gondoic acidME4463685282768C165265950-
enterodiolEnterodiolME446369123725-4327-
enterolactoneEnterolactoneME44637010685477-4515-
epiandrosterone sulfateEpiandrosteroneME4463719929317-4855-
epicatechinEpicatechinME44637272276C097272868-
ergosterolErgosterolME446373444679C016942420-
eriodictyolEriodictyolME44637411095C056313120-
erucate (22:1n9)cis-Erucic acidME4463755281116C083166355.6-
erucoylcarnitine (C22:1)*CAR 22:1ME446376--1535-
erythronate*Erythronic acidME4463772781043-2186-
erythroseErythroseME44637894176C01796780-
escitalopramEscitalopramME446379146570D07913908-
ethylmalonateEthylmalonic acidME44638011756-2785-
famotidineFamotidineME4463815702160D003182718-
fenofibrateFenofibrateME4463823339C075861480-
ferulatetrans-Ferulic acidME446383445858C014941755-
ferulic acid 4-sulfateFerulic acid 4-sulfateME4463846305574-1200-
feruloylputrescineSubaphyllineME4463855281796C104972862-
fexofenadineFexofenadineME4463863348C06999944-
flavin mononucleotide (FMN)FMNME446387710C000612390-
formiminoglutamateFormiminoglutamic acidME446388439233C004391880-
fructoseFructoseME4463895984C000952065-
fucitolFucitolME4463903429-816.1-
fucoseFucoseME44639119466C01018750-
fumarateFumaric acidME446392444972C001223084-
furaneol sulfate-ME446393--1900-
gabapentinGabapentinME4463943446D003322407.4-
galactonateGalactonic acidME446395128869C008803085-
galacturonateGalacturonic acidME44639684740C083483527.2-
gamma-CEHCgamma-CEHCME446397133098-3843-
gamma-glutamylalaninegamma-GlutamylalanineME446398440103-1986-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME44639965254-2784-
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME4464007015685-2717-
gamma-glutamylglutamategamma-Glutamylglutamic acidME44640192865C05282598.3-
gamma-glutamylglutaminegamma-GlutamylglutamineME446402150914C052831430-
gamma-glutamylglycinegamma-GlutamylglycineME446403165527-1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME4464047017195-2740-
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME44640514253342-2940-
gamma-glutamylleucinegamma-GlutamylleucineME446406151023-2991-
gamma-glutamylmethioninegamma-GlutamylmethionineME4464077009567-2640-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME446408111299-1825-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME44640994340-2518-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME446410--2384-
gamma-tocotrienolgamma-TocotrienolME4464115282349C141551918-
genisteinGenisteinME4464125280961C065633754-
gentisateGentisic acidME4464133469C00628905-
gentisic acid-5-glucoside-ME44641410914066-1434-
gluconateGluconic acidME44641510690C002572922-
glucoseGlucoseME44641679025C000312342-
glucuronateGlucuronic acidME446417444791C001913233.3-
glutamateGlutamic acidME446418611C000251500-
glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME44641968662-2170-
glutamineGlutamineME4464205961C000641291-
glutaminylleucineGln-LeuME44642118218208-3009-
glutamyl-meso-diaminopimelate-ME446422--2555-
glutarate (C5-DC)Glutaric acidME446423743C004892900-
glycerateGlyceric acidME446424752C002582070.4-
glycerolGlycerolME446425753C00116758-
glycerol 3-phosphatesn-Glycero-3-phosphateME446426754C00093580-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME446427123874C01233659-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME446428439964C03274520-
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME446429167572-516-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME44643071920C00670672-
glycerophosphoserine*sn-Glycero-3-phosphoserineME4464313081457-577-
glycineGlycineME446432750C000371375-
glyciteinGlyciteinME4464335317750C145363245-
glycochenodeoxycholateGlycochenodeoxycholic acidME44643412544C054665236.1-
glycocholateGlycocholic acidME44643510140C019215163-
glycocholenate sulfate*Glycocholenate sulfateME446436--4750-
glycodeoxycholateGlycodeoxycholic acidME4464373035026C054645281-
glycolithocholate sulfate*Sulfoglycolithocholic acidME44643872222C113015011-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME446439--3414-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME446440--2623-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME446441--3053-
glycoursodeoxycholateGlycoursodeoxycholic acidME44644212310288-5033-
glycylisoleucineGly-IleME44644388079-3002-
glycylleucineGly-LeuME44644492843C021553059-
glycylvalineGly-ValME44644597417-2734-
glycyrrhetinateGlycyrrhetinic acidME44644618526330C022835371.4-
guanidinoacetateGuanidoacetic acidME446447763C005811937-
guanineGuanineME446448764C002422032-
guanosineGuanosineME4464496802C003871728-
guanosine-2',3'-cyclic monophosphate2',3' cyclic GMPME44645092823C061941480-
harmaneHarmanME4464515281404C092093234-
hemeHemeME44645226945C000321124-
heptadecasphingosine (d17:1)C17 SphingosineME4464535283557-1377-
heptanoate (7:0)Heptylic acidME4464548094C177143670-
hesperetinHesperetinME44645572281C017093679-
hesperidinHesperidinME44645610621C097553867-
hexadecadienoate (16:2n6)Hexadecadienoic acidME446457--5398-
hexadecanedioate (C16-DC)Hexadecanedioic acidME44645810459C196154615-
hexadecasphinganine (d16:0)*C16 SphinganineME446459656816C139151300-
hexadecasphingosine (d16:1)*C16 SphingosineME446460--1289-
hexadecatrienoate (16:3n3)7,10,13-Hexadecatrienoic acidME4464615312428-5330-
hexanoylglycineHexanoylglycineME44646299463-2900-
hippurateHippuric acidME446463464C015862106.9-
histamineHistamineME446464774C003883035-
histidineHistidineME4464656274C00135755.9-
histidylalanineHis-AlaME446466351667-3014-
homocitrullineHomocitrullineME44646765072C024271908-
homovanillate sulfateHomovanillic acidME44646829981063-1047-
hydantoin-5-propionic acidHydantoin-5-propionic acidME446469782C055651045-
hydrochlorothiazideHydrochlorothiazideME4464703639C070412046-
hydroxymethylpyrimidine4-Amino-5-hydroxymethyl-2-methylpyrimidineME446471777C012792207-
hyocholateHyocholic acidME44647392805C176495046-
hypoxanthineHypoxanthineME446474790C002621291.2-
ibuprofenIbuprofenME4464753672D001264925-
imidazole lactateImidazolelactic acidME446476440129C055682040-
imidazole propionateImidazole propanoateME44647770630-2263-
indoleIndoleME446478798C004634302-
indole-3-acetamide1H-Indole-3-acetamideME446479397C026932306-
indole-3-carboxylic acidIndole-3-carboxylic acidME44648069867C198371710-
indoleacetateIndoleacetic acidME446481802C009542200-
indoleacetylaspartate-ME446482446620-1685-
indolelactateIndolelactic acidME44648392904C020432286-
indolepropionate3-Indolepropionic acidME4464843744-2795-
indolin-2-oneIndolin-2-oneME446485321710C123122575-
inosineInosineME4464866021C002941269-
isobutyrylglycineIsobutyrylglycineME44648710855600-1420-
isocaproate (i6:0)Isocaproic acidME44648812587-2570-
isoleucineIsoleucineME4464896306C004072800-
isoleucylglycineIle-GlyME446490342532-1992-
isoursodeoxycholateIsoursodeoxycholic acidME446491127601C176624809-
isovalerate (i5:0)Isovaleric acidME44649210430C082621564-
isovalerylglycineIsovalerylglycineME446493546304-1950-
I-urobilinogenMesobilirubinogenME44649426818C057904190-
kynurenateKynurenic acidME4464953845C017172224-
kynurenineKynurenineME446496161166C003282739-
lactateLactic acidME446497612C001861468.8-
lactobionateLactobionic acidME4464987314-645-
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*LacCer 18:1;O2/22:0ME446499--3842-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME446500--3778-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME446501--2527-
LAHSA (18:2/OH-18:0)*-ME446502--2936-
lanosterolLanosterolME446503246983C017242687-
laurate (12:0)Lauric acidME4465043893C026795300-
laurylcarnitine (C12)CAR 12:0ME44650510427569-1235-
leucineLeucineME4465066106C001232864-
leucylalanineLeu-AlaME446507259321-2801-
leucylglutamine*Leu-GlnME4465084305457-2620-
leucylglycineLeu-GlyME44650979070-2050-
levulinate (4-oxovalerate)Levulinic acidME44651011579-1433-
lignoceroylcarnitine (C24)*CAR 24:0ME446512--1603-
lignoceroyl ethanolamide (24:0)*-ME446511--2445-
limoninLimoninME446513179651D00173,C035143340-
linoleate (18:2n6)Linoleic acidME4465145280450C015955535-
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME4465155280934C064265450-
linolenoylcarnitine (C18:3)*CAR 18:3ME446516--1310-
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]*DG 18:3_18:3ME446517--2229-
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]*DG 18:3_18:3ME446518--2268-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME446520--2624-
linoleoylcarnitine (C18:2)*CAR 18:2ME4465216450015-1430-
linoleoyl ethanolamideLinoleoyl-EAME4465195283446-6150-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*DG 18:2_18:3ME446522--2426-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*DG 18:2_18:3ME446523--2478-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME446524--2689-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*DG 18:2_18:2ME446525--2760-
liquiritigeninLiquiritigeninME4465261889C097623345-
lisinoprilLisinoprilME4465273937-3292-
lithocholateLithocholic acidME4465289903C039905372-
loperamideLoperamideME4465293955C070801075-
loratadineLoratadineME4465303957D003641031-
L-urobilinL-UrobilinME4465315280818C057934624-
lysineLysineME4465325962C000472850-
lysylleucineLys-LeuME4465334682588-3370-
malateMalic acidME446534525C00149615.6-
maleateMaleic acidME446535444266C013842640-
malonateMalonic acidME446536867C003833447-
malonylcarnitineCAR DC3:0ME44653722833583-2086-
maltitol/lactitol/cellobiotol/palatinol-ME446538--750-
maltolMaltolME4465398369C119181896-
maltoseMaltoseME44654010991489C002083329.4-
maltotetraoseMaltotetraoseME446541446495C02052910-
maltotrioseMaltotrioseME446542439586C01835812-
mannitol/sorbitolSorbitolME4465435780C007942320-
mannoseMannoseME44654418950C001592200-
margarate (17:0)Margaric acidME44654510465-5731-
margaroylcarnitine (C17)*CAR 17:0ME446546--1424-
metforminMetforminME4465474091C071512817-
methionineMethionineME4465486137C000732526-
methionine sulfoneMethionine sulfoneME44654969961-1250-
methionine sulfoxideMethionine sulfoxideME446550158980C029891272-
methyl glucopyranoside (alpha + beta)Methyl glucoseME446551--832-
methyl indole-3-acetateIndole-3-methyl acetateME44655274706-3380-
methylmalonate (MMA)Methylmalonic acidME446553487C021703078.4-
methylphosphateMethanolphosphateME44655413130-544-
methylsuccinateMethylsuccinic acidME44655510349-2800-
metoprolol acid metabolite*-ME44655662936-2950-
mevalonateMevalonic acidME446557439230C021041462-
mevalonate 5-diphosphate5-Diphosphomevalonic acidME446558439418C01143575-
mevalonolactoneMevalonolactoneME44655910428-1375-
m-tyraminem-TyramineME44656011492-2701-
myo-inositolMyo-inositolME446561892C001373506.3-
myristate (14:0)Myristic acidME44656211005C064245440-
myristoleate (14:1n5)Myristoleic acidME4465635281119C083225346.9-
myristoylcarnitine (C14)CAR 14:0ME4465646426854-1350-
N('1)-acetylspermidineN1-AcetylspermidineME446565496C006123075-
N(1)-acetylspermineN1-AcetylspermineME446566916C025673356-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME44657069698C058421668-
N1-methyladenosine1-MethyladenosineME44602027476C024942120-
N1,N12-diacetylspermineN1,N12-DiacetylspermineME446569132680C034133105-
N2-acetyllysineN(2)-AcetyllysineME44657292907C129893372.6-
N-(2-furoyl)glycine2-FuroylglycineME44656721863-1600-
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...-ME446568--2692-
N2,N5-diacetylornithineN2,N5-DiacetylornithineME44657110398396-1310-
N6-acetyllysineN6-AcetyllysineME44657492832C027271059-
N6-carboxyethyllysineN(6)-(2-Carboxyethyl)-lysineME446575--680-
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME446576123800-2500-
N6-formyllysine-ME44657770923-1992-
N6-methyladenosineN6-MethyladenosineME4465781869-2264-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME446573440120C037932825-
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME446579193270-2100-
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME446580193270-2056-
N-acetylalanineN-AcetylalanineME44658188064C02847861.2-
N-acetylarginineN-AcetylarginineME44658267427C025622245-
N-acetylasparagineN-AcetylasparagineME44658399715-785-
N-acetylaspartate (NAA)N-Acetylaspartic acidME44658465065C010423143-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME4465855255C12270575.3-
N-acetyl-beta-glucosaminylamineN-Acetyl-beta-glucosaminylamineME446586439454C01239759-
N-acetyl-cadaverineN-AcetylcadaverineME446587189087-2385-
N-acetylcitrullineN-AcetylcitrullineME446588656979C15532940-
N-acetylcysteineN-AcetylcysteineME44658912035C068091416-
N-acetylglucosamine 6-sulfateGlucosamine 6-sulfateME446590193456C041321777-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME44659124139-715-
N-acetylglucosaminylasparagineAspartylglycosamineME446592123826C045401212-
N-acetylglutamateN-Acetylglutamic acidME44659370914C006241050-
N-acetylglutamineN-AcetylglutamineME446594182230C02716845-
N-acetylglycineN-AcetylglycineME44659510972-1780-
N-acetylhistamineN-AcetylhistamineME44659669602C051352287-
N-acetylhistidineN-AcetylhistidineME44659775619C029972065-
N-acetylisoleucineN-AcetylisoleucineME4465982802421-2325-
N-acetylleucineN-AcetylleucineME44659970912C027102400-
N-acetylmethionineN-AcetylmethionineME446600448580C027121787-
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME446601193368-880-
N-acetylmuramateN-Acetylmuramic acidME4466025462244C02713860-
N-acetylneuraminateN-Acetylneuraminic acidME446603439197C00270660-
N-acetylphenylalanineN-AcetylphenylalanineME44660474839C035192597-
N-acetylprolineN-Acetyl-prolineME446605322640-1695-
N-acetylputrescineN-AcetylputrescineME446606122356C027142230-
N-acetylpyrralineDehydroepiandrosteroneME446607--2545-
N-acetylserotoninN-AcetylserotoninME446608903C009781975-
N-acetylsphingosineCer 18:1;O2/2:0ME4466095497136C001956000-
N-acetyltaurineN-AcetyltaurineME446610159864-800-
N-acetylthreonineN-AcetylthreonineME446611152204-821.6-
N-acetyltryptophanN-Acetyl-tryptophanME446612700653C031372630-
N-acetyltyrosineN-AcetyltyrosineME44661368310-1680-
N-acetylvalineN-AcetylvalineME44661466789-1704-
N-alpha-acetylornithineN-AcetylornithineME446615439232C004372000-
naringeninNaringeninME446616932C005093437-
narirutinNarirutinME446617442431C097933700-
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME446618--3911-
N-carbamoylalanineN-CarbamoylalanineME446619426409-950-
N-carbamoylaspartateN-Carbamoylaspartic acidME44662093072C004383800-
N-carbamoylglutamateCarglumic acidME446621121396C05829865-
N-carbamoylsarcosineN-CarbamoylsarcosineME446622439375C01043920-
N-delta-acetylornithineN(5)-Acetyl-ornithineME4466239920500-1877-
neoponcirin-ME446624--4385.6-
nervonate (24:1n9)*Nervonic acidME4466255281120C083236804-
nervonoylcarnitine (C24:1)*CAR 24:1ME446626--1602-
N-formylanthranilic acidFormylanthranilic acidME446627101399C056532150-
N-formylmethionineN-FormylmethionineME446628439750C031451543.8-
N-formylphenylalanineN-FormylphenylalanineME446629759256-2360-
N-glycolylneuraminateN-Glycoloylneuraminic acidME446630123802C03410636-
nicotianamine(R,S,S)-NicotianamineME4466319882882C053241800-
nicotinamideNiacinamideME446632936C001531942-
nicotinamide ribosideNicotinamide ribosideME446633439924C031502040-
nicotinateNicotinic acidME446634938C002531673-
nicotinate ribonucleosideD-RibosylnicotinateME446635161234C058411536-
nicotinic acid mononucleotide (NaMN)Nicotinic acid mononucleotideME4466365288991C01185648-
N-methylalanineN-MethylalanineME4466375288725C027211536-
N-methyl-GABA4-(Methylamino)butyric acidME44663870703C159872109-
N-methylglutamateN-Methyl-glutamic acidME446639439377C010461300-
N-methylhydantoinN-MethylhydantoinME44664069217C025651425-
N-methylleucine-ME4466412777993-2787-
N-methylphenylalanine-ME4466424657542-2790-
N-methylpipecolateN-methyl pipecolic acidME44664311286529-1932-
N-methylprolineN-Methyl-prolineME446644557-1335-
N-methyltaurineN-MethyltaurineME4466457882-1650-
N-methyltryptophan-ME446646914C029832910-
N-monomethylarginineTarginineME446647132862C038842845-
nonadecanoate (19:0)Nonadecylic acidME44664812591C165356068-
norvalineNorvalineME446649824C018262582-
N-palmitoylglycineN-Palmitoyl glycineME446650151008-5580-
N-palmitoylserineN-Palmitoyl serineME4466516453686-5557-
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME4466525283572-3090-
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME4466535283564-2893-
N-palmitoyltaurineN-Palmitoyl taurineME446654--5560-
N-propionylalanine-ME446655321155-1335-
N-propionylmethionineN-propionylmethionineME446656103692-2290-
N-stearoyl-sphinganine (d18:0/18:0)*Cer 18:0;O2/18:0ME4466575283573-3526-
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME4466585283565-3392-
N-stearoyltaurineN-Stearoyl taurineME446659168274-5782-
N-trimethyl 5-aminovalerate-ME446660--2186-
O-acetylhomoserineO-Acetyl-homoserineME446661439389C010771850-
OAHSA (18:1/OH-18:0)-ME446662--3384-
octadecanedioate (C18-DC)Octadecanedioic acidME44666370095-5043-
o-hydroxyatorvastatin-ME4466649808225-5015-
oleanolateOleanolic acidME44666510494C171485563-
oleate/vaccenate (18:1)Oleic acidME446666--5655-
oleoylcarnitine (C18:1)CAR 18:1ME4466686441392-1423-
oleoylcholineOleoylcholineME446669--1449-
oleoyl ethanolamideOleoyl-EAME4466675283454-1661-
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*DG 18:1_18:3ME446670--2819-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME446671--3115-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME446672--3223-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*DG 18:1_18:1ME446673--3571-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*DG 18:1_18:1ME446674--3695-
ornithineOrnithineME4466756262C000772800-
orotateOrotic acidME446676967C002951638.1-
orotidineOrotidineME44667792751-2250-
O-sulfo-L-tyrosineSulfotyrosineME446678514186-990-
oxalate (ethanedioate)Oxalic acidME446679971C00209603-
PAHSA (16:0/OH-18:0)-ME446680--3411-
palmitate (16:0)Palmitic acidME446681985C002495618-
palmitoleate (16:1n7)Palmitoleic acidME446682445638C083625475-
palmitoleoylcarnitine (C16:1)*CAR 16:1ME44668371464547-1357-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME446684--2664-
palmitoylcarnitine (C16)CAR 16:0ME446688461C029901425-
palmitoylcholinePalmitoylcholineME446689151731-1482-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME4466859939965-2290-
palmitoyl ethanolamidePalmitoyl-EAME4466864671C165121643-
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*DG 16:0_18:3ME446690--2834-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*DG 16:0_18:2ME4466919543695-3080-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME446692--3197-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*DG 16:0_18:1ME446693-C138613695-
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME4466879939941-2168-
pantetheinePantetheineME446694439322C008312056-
pantothenatePantothenic acidME4466956613C008641667-
paraxanthineParaxanthineME4466964687C137471810-
p-cresolP-CresolME4466972879C014684154-
p-cresol sulfatep-Cresol sulfateME4466984615423-2890-
phenethylaminePhenylethylamineME4466991001C053323065-
phenol sulfatePhenyl hydrogen sulfateME44670074426C021802156-
phenylacetatePhenyl acetateME446701999C070862150-
phenylacetylglutamateN-Phenylacetylglutamic acidME44670211579826-2390-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME44670392258C041482330-
phenylacetylglycinePhenylacetylglycineME44670468144C055982375-
phenylalaninePhenylalanineME4467056140C000792878-
phenylalanylalaninePhe-AlaME4467065488196-2909-
phenylalanylglycinePhe-GlyME44670798207-2898-
phenyllactate (PLA)Phenyllactic acidME4467083848C056072208-
phenylpyruvatePhenylpyruvic acidME446709997C001662515-
pheophorbide APheophorbide aME4467105323510C180211562-
phosphatePhosphoric acidME4467111061C00009576-
p-hydroxyatorvastatin-ME4467139851106-4650-
p-hydroxyatorvastatin lactone-ME446714--990-
phytanatePhytanic acidME44671526840C016075908-
phytosphingosinePhytosphingosineME446716122121C121441367-
picolinatePicolinic acidME4467171018C10164910-
pimelate (C7-DC)Pimelic acidME446718385C026562745-
pipecolatePipecolic acidME446719849C004082200-
piperidinePiperidineME4467208082C017462500-
piperinePiperineME446721638024C038821168-
ponciretin-ME4467225118250-4365-
pregnanolone/allopregnanolone sulfate3alpha-Hydroxy-5beta-pregnane-20-oneME446724--5160-
pregnen-diol disulfate C21H34O8S2*-ME446725--3868-
pregnenolone sulfatePregnenolone sulfateME446726105074-5100-
pregn steroid monosulfate C21H34O5S*-ME446723--5000-
pristanatePristanic acidME446727123929-5773-
pro-hydroxy-proPro-hydroxyProME44673011673055-2128-
prolineProlineME446728145742C001481603-
prolylglycinePro-GlyME4467296426709-2136-
propionylglycinePropionylglycineME44673198681-960-
protoporphyrin IXProtoporphyrinME4467324971C021911417-
pseudoephedrinePseudoephedrineME4467337028C027653041-
pseudouridinePseudouridineME44673415047C02067800-
pterinPterinME44673573000C007151805-
putrescinePutrescineME4467361045C001343027-
pyridoxalPyridoxalME4467371050C002502343-
pyridoxaminePyridoxamineME4467381052C005342975-
pyridoxate4-Pyridoxic acidME4467396723C008472185-
pyridoxine (Vitamin B6)PyridoxineME4467401054C003142442-
pyroglutamine*PyroglutamineME446741134508-1900-
pyrralinePyrralineME446742122228-2304-
pyruvatePyruvic acidME4467431060C000222650-
quinateQuinic acidME4467446508C002962432.9-
quinineQuinineME4467452728270-3378-
quinolinateQuinolinic acidME4467461066C03722845-
ranitidineRanitidineME4467473001055D004222910-
rhoifolin-ME4467485282150C126273725-
ribitolRibitolME4467496912C004741789.6-
riboflavin (Vitamin B2)RiboflavinME446750493570C002552292-
ribonateRibonic acidME4467515460677C016852425-
riboseRiboseME4467525779C001211508.2-
ribulose/xyluloseXyluloseME4467535289590-1400-
rosmarinateRosmarinic acidME4467545281792C018502785-
(R)-salsolinol(R)-SalsolinolME44598754456C096422525-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME4467551196C043221528-
saccharinSaccharinME4467565143D010852000-
saccharopineSaccharopineME446757160556C00449640-
salicylateSalicylic acidME446758338C00805802-
S-allylcysteineS-AllylcysteineME44675998280-2690-
sarcosineSarcosineME4467601088C002131280-
S-carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME4467611080C037271490-
sebacate (C10-DC)Sebacic acidME4467625192C082771788-
secoisolariciresinolSecoisolariciresinolME44676365373C181673945-
secoisolariciresinol diglucoside-ME4467649917980-3380-
sedoheptuloseGlucoheptuloseME4467655459879-681-
serineSerineME4467665951C000651239-
serotoninSerotoninME4467675202C007802550-
sertralineSertralineME44676868617C072461070-
silibininSilibininME44676931553D085153655-
sitostanolDihydro-sitosterolME44677015559396C196443300-
skatol3-MethylindoleME4467716736C083134875-
S-methylcysteineMethylcysteineME44677224417-1955-
S-methylmethionineS-MethylmethionineME446773458C053192555-
solanidineSolanidineME44677465727C065431010-
spermidineSpermidineME4467751102C003153355-
sphingadienineSphingadienineME4467766449795-1350-
sphinganineSphinganineME4467773126C008361413-
sphingosineSphingosineME4467785353955C003191393-
stachydrineStachydrineME446779115244C101721440-
stearate (18:0)Stearic acidME4467805281C015305872-
stearidonate (18:4n3)Stearidonic acidME4467815312508C163005395-
stearoylcarnitine (C18)CAR 18:0ME4467836426855-1485-
stearoyl ethanolamideStearoyl-EAME44678227902-1787-
steviolSteviolME446784452967C202125327-
stigmasterolStigmasterolME4467855280794C054422875-
suberate (C8-DC)Suberic acidME44678610457C08278804.3-
succinateSuccinic acidME4467871110C000423149-
succinimideSuccinimideME44678811439C072732155-
succinylcarnitine (C4-DC)CAR DC4:0ME44678971464481-2291-
sucraloseSucraloseME44679071485C122853140-
sucroseSucroseME4467915988C000893092-
sulfate*SulfateME4467921118C00059616-
syringic acidSyringic acidME44679310742C108331450-
tartarateTartaric acidME446794444305C00898615.3-
taurineTaurineME4467951123C00245660-
taurochenodeoxycholateTaurochenodeoxycholic acidME446796387316C054655250-
taurocholateTaurocholic acidME4467976675C051225150-
taurocholenate sulfateTaurocholenate sulfateME446798--4750-
taurodeoxycholateTaurodeoxycholic acidME4467992733768C054635257.4-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME446800440071C036425027-
tauroursodeoxycholateTauroursodeoxycholic acidME4468019848818-5025-
tetrahydrocortisoneTetrahydrocortisoneME4468025866C054705121-
theanineN(5)-Ethyl-glutamineME446803439378C010472180-
theobromineTheobromineME4468045429C074801600-
theophyllineTheophyllineME4468052153C071301870-
thiamin (Vitamin B1)ThiamineME4468061130C003783050-
thioprolineThioprolineME44680793176-1250-
threonateThreonic acidME446808151152C016202384-
threonineThreonineME4468096288C001881514-
threonylphenylalanineThr-PheME4468104099799-2322-
thymidineThymidineME4468115789C002141963.7-
thymidine 5'-monophosphateTMPME4468149700C00364883-
thymineThymineME4468121135C001781654-
tiglylcarnitine (C5:1-DC)CAR DC5:1ME44681322833596-2962-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME4464725810C011571064-
trans-nonadecenoate (tr 19:1)*-ME446815--5824-
trans-urocanateUrocanic acidME446816736715C007852285-
trazadoneTrazodoneME4468175533C07156,D086263498-
tribuloside-ME4468185320686C171403933-
tricarballylate1,2,3-Propanetricarboxylic acidME44681914925C19806578-
tridecanedioate (C13-DC)Tridecanedioic acidME44682010458-3530-
trigonelline (N'-methylnicotinate)TrigonellineME4468215570C010041388-
trimethylamine N-oxideTrimethylamine N-oxideME4468221145C011042100-
tryptamineTryptamineME4468231150C003983062-
tryptophanTryptophanME4468246305C000782986-
tryptophan betaineLenticinME446825442106C092132673-
tryptophylglycineTrp-GlyME446826263471-2930-
tyramineTyramineME4468275610C004832540-
tyramine O-sulfateTyramine-O-sulfateME446828153005-1565-
tyrosineTyrosineME4468296057C000822430-
tyrosolTyrosolME44683010393C060442716-
tyrosylglycineTyr-GlyME446831259323-1635-
undecanedioate (C11-DC)Undecanedioic acidME44683215816-2440-
uracilUracilME4468331174C001061086-
urateUric acidME4468341175C00366757.1-
uridineUridineME4468356029C002991457.6-
uridine-2',3'-cyclic monophosphate2',3' cyclic UMPME446836439715C023551090-
ursocholateUrsocholic acidME446837--4648-
ursodeoxycholateUrsodeoxycholic acidME44683831401C078805055-
ursodeoxycholate sulfate (1)-ME446839--4328-
ursodeoxycholate sulfate (2)-ME446840--4538-
valerate (5:0)Valeric acidME4468417991C008031718-
valerylglycineValerylglycineME4468424737557-2071-
valerylphenylalanine-ME44684313890536-4176-
valineValineME4468446287C001832479-
valine betaine-ME446845--1370-
valsartanValsartanME4468465650-1092-
valylglutamineVal-GlnME4468475253209-2295-
valylglycineVal-GlyME446848136487-1506-
valylleucineVal-LeuME446849352039-3138-
vanillactateVanillactic acidME446850160637-1625-
vanillateVanillic acidME4468518468C066721100-
vanillinVanillinME4468521183C007552311.9-
xanthineXanthineME4468531188C003851032-
xanthosineXanthosineME44685464959C017621075-
xanthurenateXanthurenic acidME4468555699C024701476-
xyloseXyloseME446856135191C001811727-


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME4468745312435-5555-
10-hydroxystearateRosilic acidME4468759561835-5370-
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME446860--1566-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME446861--1558-
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME446862--1649-
11-ketoetiocholanolone sulfate-ME446876--4420-
12,13-DiHOME12,13-DiHOMEME44687710236635C148295137-
1,2,3-benzenetriol sulfate (1)-ME446863--1453-
1,2,3-benzenetriol sulfate (2)-ME446864--1709-
12-dehydrocholate12-Ketochenodeoxycholic acidME44687894235-4871-
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)-ME446865--1941-
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*MGDG 18:3/0:0/18:3ME4468665282287C138712046-
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*-ME446867--2256-
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*-ME4468686535011-2415-
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME4468695288075-2006-
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME446870452110D035852365-
1,3,7-trimethylurate1,3,7-Trimethyluric acidME44687179437C163611985-
1,3-dimethylurate1,3-Dimethyluric acidME44687270346-1671.4-
13-HODE + 9-HODEHODEME44687943013-5275-
13-HOTrE13S-HOTrEME44688016061072-1313-
(15:0)-anacardic acidAnacardic acidME446857167551C107595895-
(15:2)-anacardic acidAnacardic acidME44685811824131-5565-
15-methylpalmitate (i17:0)15-Methylpalmitic acidME44688117903417-5695-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME446882--4240-
1,7-dimethylurate1,7-Dimethyluric acidME44687391611C163561578.6-
17-methylstearate (i19:0)Xi-17-Methyloctadecanoic acidME4468833083779-5993-
1-linolenoyl-2-hexadecatrienoyl-galactosylglycerol...-ME446884--1911-
1-linolenoylglycerol (18:3)MG 18:3ME44688553480978-6214-
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:...DGDG 18:2_18:3ME446886--2073-
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/...MGDG 18:2_18:3ME446887--2209-
1-linoleoylglycerol (18:2)MG 18:2ME4468885283469-6477-
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME44688911988421C041001465-
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME44689052925130-1482-
1-methyladenine1-MethyladenineME44689178821C022162133-
1-methyl-beta-carboline-3-carboxylic acid-ME4468935406157-3190-
1-methylguanidineMethylguanidineME44689410111C022942149-
1-methylhistamine1-MethylhistamineME4468953614C051273040-
1-methylimidazoleacetateMethylimidazoleacetic acidME44689675810C058282064-
1-methylnicotinamide1-Methyl nicotinamideME44689710129985C029181940-
1-methylurate1-Methyluric acidME44689869726C163591461-
1-methylxanthine1-MethylxanthineME44689980220C163581568.8-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*PC 18:1_18:2ME446900--2165-
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME4469015283468-6650-
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME44690216081932-1540-
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME4469039547071-1554-
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME446904--5610-
1-oleoyl-GPI (18:1)*LPI 18:1/0:0ME446905--5599-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME44690610747814-2091-
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:...DGDG 16:0_18:3ME446907--2278-
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0...DGDG 16:0_18:2ME446908--2498-
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/1...MGDG 16:0_18:2ME446909--2731-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME4469105287971-2160-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME4469119546747-2275-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME446912--910-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME4469136436017-2358-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME4469145283496-2509-
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME44691586554-1525-
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME4469169547069-1544-
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME4469173300276-5570-
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME446918--5564-
1-palmitoyl-GPS (16:0)*LPS 16:0/0:0ME4469199547100-5572-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME446920--2380-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME446921--2644-
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME446922497299-1606-
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME4469239547068-1626-
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME446924--5816-
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME446925--5794-
1-stearoyl-GPS (18:0)*LPS 18:0/0:0ME4469269547101-5800-
20-hydroxyecdysone20-HydroxyecdysoneME4469355459840C026334021-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME446936134595-3935-
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME446928301941-1318-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME446929677C040391050-
2,3-dimethylsuccinate-ME44693011848-2800-
2,4,6-trihydroxybenzoate2,4,6-Trihydroxybenzoic acidME44693166520-1574-
2,4-dihydroxyhydrocinnamate-ME44693296384-1759-
2-(4-hydroxyphenyl)propionate4-Hydroxyphenyl-2-propionic acidME446927102526C030801797.3-
2,8-quinolinediolQuinoline-2,8-diolME44693397250C063422514-
2,8-quinolinediol sulfate-ME446934--2612-
2-acetamidobutanoate-ME446937306107-1340-
2-aminoadipatealpha-Aminoadipic acidME446938469C00956639.2-
2-aminoheptanoate2-Aminoheptanoic acidME446939227939-3160-
2-aminophenol2-AminophenolME4469405801C019872644-
2-aminophenol sulfate2-Aminophenyl sulfateME446941181670-1677-
2'-deoxyadenosineDeoxyadenosineME44694213730C005592252-
2'-deoxyadenosine 5'-monophosphatedAMPME44694312599C003601284-
2'-deoxycytidineDeoxycytidineME44694413711C008812193-
2'-deoxycytidine 5'-monophosphatedCMPME44719913945C00239975-
2'-deoxyguanosineDeoxyguanosineME446945187790C003301751-
2'-deoxyinosineDeoxyinosineME44694665058C055121688-
2'-deoxyuridineDeoxyuridineME44694713712C005261586-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME446948164623-1800-
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME44694986290013-1674-
2-hydroxybehenate2-Hydroxy behenic acidME446950193484-6384-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME446951--1258-
2-hydroxydecanoate2-Hydroxycapric acidME44695221488-4840-
2-hydroxyglutarate2-Hydroxyglutaric acidME44695343C026303352.8-
2-hydroxyhippurate (salicylurate)Salicyluric acidME44695410253C075882184-
2-hydroxyibuprofen2-HydroxyibuprofenME44695510443535-3462-
2-hydroxylaurate2-Hydroxylauric acidME44695697783-5211-
2-hydroxypalmitate2-Hydroxypalmitic acidME44695792836-5511.2-
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME44695811970C05852858.6-
2-isopropylmalate2-Isopropylmalic acidME44695977C025042605-
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME446960161227C002041900-
2-linoleoylglycerol (18:2)MG 18:2ME4469615365676-6250-
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME44696286290014-1949-
2-methylcitrate/homocitrateHomocitric acidME446963--575-
2-methylserine2-MethylserineME44696494309C021151652-
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME4469655319879-6500-
2'-O-methyluridine2'-O-MethyluridineME446966102212-1831-
2-oxindole-3-acetate2-Oxindole-3-acetateME4469673080590-2378-
2-oxo-1-pyrrolidinepropionate-ME4469683146688-1600-
2-oxoarginine*2-OxoarginineME446969558C037711760-
2-palmitoylglycerol (16:0)MG 0:0/16:0/0:0ME446970123409-6400-
2-piperidinone2-PiperidinoneME44697112665-1675-
3-(2-hydroxyphenyl)propionate3-(2-Hydroxyphenyl)propanoic acidME446972873C011982530-
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME44697391C114571980-
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME446974187488-1294-
3,4-dihydroxybenzoateProtocatechuic acidME44697972C00230729-
3,4-dihydroxyphenylacetate3,4-Dihydroxybenzeneacetic acidME446980547C011611040-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME4469759378C036721390.6-
3-(4-hydroxyphenyl)propionateDesaminotyrosineME44697610394C017441670-
3,5-dihydroxybenzoic acid3,5-Dihydroxybenzoic acidME4469817424-785.4-
3,7-dimethylurate3,7-Dimethyluric acidME44698283126C163601418.2-
3-aminoisobutyrate3-Aminoisobutanoic acidME44698364956C051452190-
3beta-hydroxy-5-cholestenoateCholestenoic acidME446984165511C173335398-
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME44698592997-5205-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME446986123979-2800-
3-carboxyadipate-ME446987222467-571-
3-(cystein-S-yl)acetaminophen*3-(Cystein-S-yl)acetaminophenME4469775233914-2420-
3-dehydrocholate3-Dehydrocholic acidME446988159655-5050-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME446989188979-975-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME4469901662C037612850-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME446991441C010891444-
3-hydroxycinnamatetrans-m-Coumaric acidME446992637541C126211960-
3-hydroxydecanoate3-Hydroxydecanoic acidME44699326612-4634.7-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME446994151492-1725-
3-hydroxyhippurate3-Hydroxyhippuric acidME446995450268-1687-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME44699687C060011619-
3-hydroxylaurate3-Hydroxydodecanoic acidME44699794216-5175-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME44699826613-3446-
3-hydroxypalmitate3-Hydroxyhexadecanoic acidME446999301590-5476-
3-hydroxyphenylacetate3-Hydroxyphenylacetic acidME44700012122C055931220-
3-hydroxypyridine3-HydroxypyridineME4470017971-2292-
3-hydroxyquinine3-HydroxyquinineME447002441264C073443271-
3-hydroxysebacate3-Hydroxysebacic acidME4470033017884-1282-
3-hydroxysuberate3-Hydroxysuberic acidME44700422328017-644-
3-hydroxyvalerate3-Hydroxyvaleric acidME447005107802-1241-
3-indoxyl sulfateIndoxyl sulfateME44700610258-2222.2-
3-ketosphinganine3-KetosphinganineME447007631C029341400-
3-methyl-2-oxobutyrateKetoisovaleric acidME44700849C00141911-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME44700947C006712064.2-
3-methyladipate3-Methyladipic acidME44701012292-2865-
3-methylglutaconate3E-Methylglutaconic acidME4470111551553-2700-
3-methylglutarate/2-methylglutarateMethylglutaric acidME447012--2832-
3-methylhistidine3-MethylhistidineME44701364969C011522670-
3-methylurate*3-Methyluric acidME44701411804-1024-
3-methylxanthine3-MethylxanthineME44701570639C163571700-
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME44697883967-2094-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME447016107C056292860-
3-sulfo-L-alanineCysteic acidME44701772886C00506570-
3-ureidopropionateUreidopropionic acidME447018111C02642875-
4-acetamidobenzoate4-Acetamidobenzoic acidME44701919266D038361403-
4-acetamidobutanoate4-Acetamidobutanoic acidME44702018189C029461350-
4-acetamidophenolAcetaminophenME4470211983C068042173.7-
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME44702283944-1400-
4-acetaminophen sulfateParacetamol sulfateME44702383939C068041792-
4-cholesten-3-oneCholestenoneME44702491477C005992520-
4-ethylphenylsulfate4-EthylphenolME447025-C136373580-
4-guanidinobutanoate4-Guanidinobutanoic acidME447026500C010352320-
4-hydroxybenzoate4-Hydroxybenzoic acidME447027135C001561305-
4-hydroxybenzyl alcohol4-Hydroxybenzyl alcoholME447028125C174672215-
4-hydroxychlorothalonil4-HydroxychlorothalonilME44702934217-4427-
4-hydroxycinnamatecis-p-Coumaric acidME447030637542C008111457-
4-hydroxycyclohexylcarboxylic acid4-Hydroxycyclohexylcarboxylic acidME447031151138C044042005-
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME447032439902C030791141-
4-hydroxyhippurate4-Hydroxyhippuric acidME447033151012-1475-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME447034127C006421361-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME447035979C011791690-
4-imidazoleacetateImidazoleacetic acidME44703696215C028352055-
4-methyl-2-oxopentanoateKetoleucineME44703770C002332170-
4-methylcatechol sulfate-ME447038--2665-
4-methylthio-2-oxobutanoate2-Oxo-4-methylthiobutanoic acidME447039473C011801635-
4-oxo-retinoic acid-ME4470406437063-1298-
4-ureidobutyrate-ME4470411571307-1095-
5-(2-Hydroxyethyl)-4-methylthiazole5-(2-Hydroxyethyl)-4-methylthiazoleME4470421136C042942310-
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME44704388299C163661710-
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME447044108214C163651424-
5alpha-androstan-3alpha,17alpha-diol disulfate-ME447045--4547-
5alpha-androstan-3alpha,17alpha-diol monosulfate-ME447046--5208-
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME447047--4275-
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME447048--4925-
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME447049--4215-
5alpha-androstan-3beta,17alpha-diol monosulfate (1...-ME447050--4806-
5alpha-androstan-3beta,17alpha-diol monosulfate (2...-ME447051--5095-
5alpha-androstan-3beta,17beta-diol disulfate-ME447052242332C125253880-
5alpha-androstan-3beta,17beta-diol monosulfate (1)-ME447053--4635-
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME447054--4685-
5alpha-pregnan-3(alpha or beta),20beta-diol disulf...-ME4470555127902-4310-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME447056--3962-
5alpha-pregnan-3beta,20alpha-diol monosulfate (1)-ME447057--4928-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME447058--5060-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME447059--5180-
5alpha-pregnan-3beta-ol,20-one sulfate-ME447060--5136-
5-aminovalerate5-Aminopentanoic acidME447061138C004312220-
5-dodecenoate (12:1n7)5-Dodecenoic acidME4470625312378-5224-
5-hydroxy-2-indolecarboxylic acid-ME44706388958-1270-
5-hydroxyhexanoate5-Hydroxycaproic acidME447064170748-1267-
5-hydroxylysine5-HydroxylysineME4470651029C167412790-
5-hydroxymethylfurfural5-Hydroxymethyl-2-furancarboxaldehydeME447066237332C111011542-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME447067439176C001702752-
5-methyluridine (ribothymidine)RibothymidineME447068445408-1778.1-
5-oxoprolinePyroglutamic acidME4470697405C01879738.5-
6-hydroxynicotinate6-Hydroxynicotinic acidME44707072924C010202000-
6-oxolithocholate6-Ketolithocholic acidME447071164960-5033-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME4470723014237-965-
7-ketocholesterol7-Oxo-cholesterolME44707391474-2413-
7-ketodeoxycholate7-Ketodeoxycholic acidME447074188292-4821-
7-ketolithocholate7-Ketolithocholic acidME447075444262-5082-
7-methylguanine7-MethylguanineME44707611361C022422175-
7-methylurate7-Methyluric acidME44707769160C163551321-
7-methylxanthine7-MethylxanthineME44707868374C163531350-
8-hydroxyguanine8-HydroxyguanineME44707965154C20155951-
8-hydroxyoctanoate8-Hydroxyoctanoic acidME44708069820-2300-
9,10-DiHOME9,10-DiHOMEME4470819966640C148285180-
acesulfameAcesulfameME44708236573-756-
acetylcarnitine (C2)CAR 2:0ME4470831C025712282-
acisogaAcisogaME447084129397-1813-
adenineAdenineME447085190C001472221-
adenosineAdenosineME44708660961C002122169-
adenosine-2',3'-cyclic monophosphate2',3' cyclic AMPME4470872024C023531793-
adenosine 5'-monophosphate (AMP)AMPME4471026083C000201013-
adipate (C6-DC)Adipic acidME447088196C061043000-
agmatineAgmatineME447089199C001793057-
alanineAlanineME4470905950C000411700-
alanylleucineAla-LeuME447091259583-3055-
allantoinAllantoinME447092204C023501672-
allo-threonineAllothreonineME44709399289C055192511.1-
alpha-CEHC sulfatealpha-CEHC sulfateME447094--3090-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME44709583697C032641840-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME44709699823-1052-
alpha-ketoglutarate2-Oxoglutaric acidME44709751C000262700-
alpha-methylornithine-ME4470982113-2630-
alpha-tocopherolalpha-TocopherolME44709914985C024772522-
alpha-tocopherol acetateTocopherol acetateME4471002117C132022702-
alpha-tocotrienolalpha-TocotrienolME4471015282347C141531986-
androstenediol (3alpha, 17alpha) monosulfate (2)-ME447103--4712-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME44710487120982C042953740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME44710587120982C042954065-
androstenediol (3beta,17beta) monosulfate (1)-ME44710613847309-4535-
androstenediol (3beta,17beta) monosulfate (2)-ME447107--4500-
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME447108159663-5022-
anserineAnserineME447109112072C012622924-
anthranilate2-Aminobenzoic acidME447110227C001082606-
apigeninApigeninME4471115280443C014773845-
arabinoseArabinoseME44711266308C002161804.5-
arabitol/xylitolArabitolME4471136912C019041932.4-
arabonate/xylonateArabinonic acid/Xylonic acidME447114--2700-
arachidate (20:0)Arachidic acidME44711510467C064256240-
arachidonate (20:4n6)Arachidonic acidME447116444899C002195535-
arachidoylcarnitine (C20)*CAR 20:0ME447118--1512-
arachidoyl ethanolamide (20:0)*Eicosanoyl-EAME4471173787294-1941-
argininate*Argininic acidME447119160437-2150-
arginineArginineME447120232C000622825-
argininosuccinateArgininosuccinic acidME447121828C034062745-
asparagineAsparagineME4471226267C001521225-
aspartateAspartic acidME4471235960C000491165-
atenololAtenololME4471242249D002352668-
azelate (C9-DC)Azelaic acidME4471252266C082611276-
azithromycinAzithromycinME4471262269C06838918-
behenate (22:0)*Behenic acidME4471278215C082816745-
behenoylcarnitine (C22)*CAR 22:0ME447129--1561-
behenoyl ethanolamide (22:0)*Behenoyl-EAME4471283023585-2164-
benzoateBenzoic acidME447130243C001801750-
benzoylecgonineBenzoyl ecgonineME447131442997C108473061-
berberineBerberineME447132--795-
beta-alaninebeta-AlanineME447133239C000991905-
beta-cryptoxanthinCryptoxanthinME4471346384256-2560-
beta-guanidinopropanoate3-Guanidinopropanoic acidME44713567701C030652145-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME44713669362-1149.8-
betaineBetaineME447137247C007191064-
beta-muricholatebeta-Muricholic acidME4471385283853C177264794-
beta-sitosterolSitosterolME447139222284C017533054-
bilirubin (E,E)*BilirubinME4471415315454-1045-
bilirubin (E,Z or Z,E)*BilirubinME4471425799469-1265-
bilirubin (Z,Z)BilirubinME4471405280352C004861840-
biliverdinBiliverdinME4471435353439C005004695.6-
biochanin ABiochanin AME4471445280373C008144681.8-
biotinBiotinME447145171548C001202253-
bufotenineBufoteninME44714610257C082992564-
butyrylglutamine/isobutyrylglutamine-ME447147--1526-
butyrylglycineN-ButyrylglycineME44714888412-1470-
cadaverineCadaverineME447149273C016723036-
caffeateCaffeic acidME447150689043C011971165-
caffeic acid sulfate-ME447151--870-
caffeineCaffeineME4471522519C074812106-
campesterolCampesterolME447153173183C017892873-
caprate (10:0)Capric acidME4471542969C015715090.7-
caproate (6:0)Caproic acidME4471558892C015852713.7-
caprylate (8:0)Caprylic acidME447156379C064234362-
capsaicinCapsaicinME4471571548943C068661165-
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME4471582572-2085-
carboxyibuprofenCarboxyibuprofenME44715910444113-1920-
carnitineCarnitineME44716010917C003181978-
carnosineCarnosineME447161439224C00386804-
carotene diol (1)Carotene diolME447162--1720-
carotene diol (2)Carotene diolME447163--1904-
carotene diol (3)Carotene diolME447164--1948-
catechol sulfateCatechol sulfateME4471653083879-1906-
ceramide (d16:1/24:1, d18:1/22:1)*Cer 40:2;O2ME447166--3850-
ceramide (d18:1/14:0, d16:1/16:0)*Cer 36:1;O2ME447167--2477-
ceramide (d18:1/17:0, d17:1/18:0)*Cer 35:1;O2ME447168--3055-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*Cer 38:1;O2ME447169--3920-
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME447170--3858-
cerotoylcarnitine (C26)*CAR 26:0ME447171--1649-
cetirizineCetirizineME4471722678C077781052-
chenodeoxycholateChenodeoxycholic acidME44717310133C025285264-
chiro-inositol1D-chiro-InositolME447174-C198913191.2-
cholateCholic acidME447175221493C006955165-
cholate sulfate-ME447176--4557-
cholesterolCholesterolME44717711025495C001872707-
cholineCholineME447178305C001141961-
choline phosphateCholine phosphateME4475841014C00588700-
chrysoeriolChrysoeriolME4471795280666C042933870-
ciliatine (2-aminoethylphosphonate)CiliatineME447180339C03557736-
cinnamatetrans-Cinnamic acidME447181444539C004232878-
cis-4-hydroxycyclohexylacetic acidcis-4-Hydroxycyclohexylacetic acidME447182--1185-
cis-urocanateUrocanic acidME4471831549103-1200-
citrateCitric acidME447184311C00158582-
citrullineCitrullineME4471859750C003271520-
coprostanolCoprostanolME447186221122-2850-
creatineCreatineME447187586C003001947-
creatinineCreatinineME447188588C007912055-
curcuminCurcuminME447189969516C104435142-
cysteineCysteineME4471905862C000971488-
cysteine s-sulfateCysteine-S-sulfateME447191115015C05824640.9-
cysteine sulfinic acid3-Sulfino-alanineME447192109C00606597-
cysteinylglycineCys-GlyME447193439498C014192132-
cystineCystineME44719467678C004912000-
cytidineCytidineME4471956175C004752124-
cytidine 2',3'-cyclic monophosphate2',3' cyclic CMPME447196417654C02354769-
cytosineCytosineME447197597C003802060-
daidzeinDaidzeinME4471985281708C102083566-
dehydroisoandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME44720012594C045554745-
dehydrolithocholateDehydrolithocholic acidME447201159623-5360-
delta-tocopheroldelta-TocopherolME44720292094C141512259-
deoxycarnitine3-DehydroxycarnitineME447203134C011812052-
deoxycholateDeoxycholic acidME447204222528C044835294-
deoxycholic acid sulfate-ME447205--4880-
deoxymugineic acid-ME447206--1036-
dexlansoprazoleDexlansoprazoleME4472079578005D08903827-
dexpanthenolPantothenolME4472084678D037261740-
dextromethorphanDextromethorphanME4472095362449C06947904-
diacetylchitobioseN,N'-DiacetylchitobioseME447210439544C01674790-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*DG 34:3ME447211--2733-
diaminopimelate2,6-Diaminopimelic acidME447212439283C006662569-
diethanolamineDiethanolamineME4472138113C067721960-
digalacturonic acidDigalacturonic acidME4472146857565C02273603.5-
diglycerolDiglycerolME44721542953-818-
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME4472166439848C165255730-
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME4472175280581C032425596-
dihomo-linolenoylcarnitine (20:3n3 or 6)*CAR 20:3ME447218--1392-
dihydoxyphenylalanine (L-DOPA)DOPAME4472196047C003552215-
dihydrocaffeate3,4-Dihydroxyhydrocinnamic acidME447220348154C104471430-
dihydroferulic acidDihydroferulic acidME44722114340-1928-
dihydroorotate4,5-Dihydroorotic acidME447222648C003371910-
dimethylarginine (SDMA + ADMA)DimethylarginineME447223123831C036262850-
dimethylglycineDimethylglycineME447224673C010261104-
dimethylmalonic acidDimethylmalonic acidME44722511686-2702-
diosmetinDiosmetinME4472265281612C100384081-
diosminDiosminME4472275702226-3905-
diphenhydramineDiphenhydramineME4472283100C06960911-
dipicolinate2,6-Pyridinedicarboxylic acidME44722910367-1695-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME4472305282807C165336034-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME447231445580C064295525-
docosapentaenoate (n3 DPA; 22:5n3)DPAME4472326441454C165135571-
dodecanedioate (C12-DC)Dodecanedioic acidME44723312736C026782990-
dopamineDopamineME447234681C037582385-
dopamine 3-O-sulfateDopamine 3-O-sulfateME447235122136C136901556.2-
D-urobilinD-UrobilinME4472366276321C05795935-
ectoineEctoineME447237126041C062311980-
eicosanoylsphingosine (d20:1)*C20 SphingosineME447238--1443-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME447239446284C064285450-
eicosenoate (20:1)cis-Gondoic acidME4472405282768C165265950-
enterodiolEnterodiolME447241123725-4327-
enterolactoneEnterolactoneME44724210685477-4515-
epiandrosterone sulfateEpiandrosteroneME4472439929317-4855-
epicatechinEpicatechinME44724472276C097272868-
ergosterolErgosterolME447245444679C016942420-
eriodictyolEriodictyolME44724611095C056313120-
erucate (22:1n9)cis-Erucic acidME4472475281116C083166355.6-
erucoylcarnitine (C22:1)*CAR 22:1ME447248--1535-
erythronate*Erythronic acidME4472492781043-2186-
erythroseErythroseME44725094176C01796780-
escitalopramEscitalopramME447251146570D07913908-
ethylmalonateEthylmalonic acidME44725211756-2785-
famotidineFamotidineME4472535702160D003182718-
fenofibrateFenofibrateME4472543339C075861480-
ferulatetrans-Ferulic acidME447255445858C014941755-
ferulic acid 4-sulfateFerulic acid 4-sulfateME4472566305574-1200-
feruloylputrescineSubaphyllineME4472575281796C104972862-
fexofenadineFexofenadineME4472583348C06999944-
flavin mononucleotide (FMN)FMNME447259710C000612390-
formiminoglutamateFormiminoglutamic acidME447260439233C004391880-
fructoseFructoseME4472615984C000952065-
fucitolFucitolME4472623429-816.1-
fucoseFucoseME44726319466C01018750-
fumarateFumaric acidME447264444972C001223084-
furaneol sulfate-ME447265--1900-
gabapentinGabapentinME4472663446D003322407.4-
galactonateGalactonic acidME447267128869C008803085-
galacturonateGalacturonic acidME44726884740C083483527.2-
gamma-CEHCgamma-CEHCME447269133098-3843-
gamma-glutamylalaninegamma-GlutamylalanineME447270440103-1986-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME44727165254-2784-
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME4472727015685-2717-
gamma-glutamylglutamategamma-Glutamylglutamic acidME44727392865C05282598.3-
gamma-glutamylglutaminegamma-GlutamylglutamineME447274150914C052831430-
gamma-glutamylglycinegamma-GlutamylglycineME447275165527-1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME4472767017195-2740-
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME44727714253342-2940-
gamma-glutamylleucinegamma-GlutamylleucineME447278151023-2991-
gamma-glutamylmethioninegamma-GlutamylmethionineME4472797009567-2640-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME447280111299-1825-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME44728194340-2518-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME447282--2384-
gamma-tocotrienolgamma-TocotrienolME4472835282349C141551918-
genisteinGenisteinME4472845280961C065633754-
gentisateGentisic acidME4472853469C00628905-
gentisic acid-5-glucoside-ME44728610914066-1434-
gluconateGluconic acidME44728710690C002572922-
glucoseGlucoseME44728879025C000312342-
glucuronateGlucuronic acidME447289444791C001913233.3-
glutamateGlutamic acidME447290611C000251500-
glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME44729168662-2170-
glutamineGlutamineME4472925961C000641291-
glutaminylleucineGln-LeuME44729318218208-3009-
glutamyl-meso-diaminopimelate-ME447294--2555-
glutarate (C5-DC)Glutaric acidME447295743C004892900-
glycerateGlyceric acidME447296752C002582070.4-
glycerolGlycerolME447297753C00116758-
glycerol 3-phosphatesn-Glycero-3-phosphateME447298754C00093580-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME447299123874C01233659-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME447300439964C03274520-
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME447301167572-516-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME44730271920C00670672-
glycerophosphoserine*sn-Glycero-3-phosphoserineME4473033081457-577-
glycineGlycineME447304750C000371375-
glyciteinGlyciteinME4473055317750C145363245-
glycochenodeoxycholateGlycochenodeoxycholic acidME44730612544C054665236.1-
glycocholateGlycocholic acidME44730710140C019215163-
glycocholenate sulfate*Glycocholenate sulfateME447308--4750-
glycodeoxycholateGlycodeoxycholic acidME4473093035026C054645281-
glycolithocholate sulfate*Sulfoglycolithocholic acidME44731072222C113015011-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME447311--3414-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME447312--2623-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME447313--3053-
glycoursodeoxycholateGlycoursodeoxycholic acidME44731412310288-5033-
glycylisoleucineGly-IleME44731588079-3002-
glycylleucineGly-LeuME44731692843C021553059-
glycylvalineGly-ValME44731797417-2734-
glycyrrhetinateGlycyrrhetinic acidME44731818526330C022835371.4-
guanidinoacetateGuanidoacetic acidME447319763C005811937-
guanineGuanineME447320764C002422032-
guanosineGuanosineME4473216802C003871728-
guanosine-2',3'-cyclic monophosphate2',3' cyclic GMPME44732292823C061941480-
harmaneHarmanME4473235281404C092093234-
hemeHemeME44732426945C000321124-
heptadecasphingosine (d17:1)C17 SphingosineME4473255283557-1377-
heptanoate (7:0)Heptylic acidME4473268094C177143670-
hesperetinHesperetinME44732772281C017093679-
hesperidinHesperidinME44732810621C097553867-
hexadecadienoate (16:2n6)Hexadecadienoic acidME447329--5398-
hexadecanedioate (C16-DC)Hexadecanedioic acidME44733010459C196154615-
hexadecasphinganine (d16:0)*C16 SphinganineME447331656816C139151300-
hexadecasphingosine (d16:1)*C16 SphingosineME447332--1289-
hexadecatrienoate (16:3n3)7,10,13-Hexadecatrienoic acidME4473335312428-5330-
hexanoylglycineHexanoylglycineME44733499463-2900-
hippurateHippuric acidME447335464C015862106.9-
histamineHistamineME447336774C003883035-
histidineHistidineME4473376274C00135755.9-
histidylalanineHis-AlaME447338351667-3014-
homocitrullineHomocitrullineME44733965072C024271908-
homovanillate sulfateHomovanillic acidME44734029981063-1047-
hydantoin-5-propionic acidHydantoin-5-propionic acidME447341782C055651045-
hydrochlorothiazideHydrochlorothiazideME4473423639C070412046-
hydroxymethylpyrimidine4-Amino-5-hydroxymethyl-2-methylpyrimidineME447343777C012792207-
hyocholateHyocholic acidME44734592805C176495046-
hypoxanthineHypoxanthineME447346790C002621291.2-
ibuprofenIbuprofenME4473473672D001264925-
imidazole lactateImidazolelactic acidME447348440129C055682040-
imidazole propionateImidazole propanoateME44734970630-2263-
indoleIndoleME447350798C004634302-
indole-3-acetamide1H-Indole-3-acetamideME447351397C026932306-
indole-3-carboxylic acidIndole-3-carboxylic acidME44735269867C198371710-
indoleacetateIndoleacetic acidME447353802C009542200-
indoleacetylaspartate-ME447354446620-1685-
indolelactateIndolelactic acidME44735592904C020432286-
indolepropionate3-Indolepropionic acidME4473563744-2795-
indolin-2-oneIndolin-2-oneME447357321710C123122575-
inosineInosineME4473586021C002941269-
isobutyrylglycineIsobutyrylglycineME44735910855600-1420-
isocaproate (i6:0)Isocaproic acidME44736012587-2570-
isoleucineIsoleucineME4473616306C004072800-
isoleucylglycineIle-GlyME447362342532-1992-
isoursodeoxycholateIsoursodeoxycholic acidME447363127601C176624809-
isovalerate (i5:0)Isovaleric acidME44736410430C082621564-
isovalerylglycineIsovalerylglycineME447365546304-1950-
I-urobilinogenMesobilirubinogenME44736626818C057904190-
kynurenateKynurenic acidME4473673845C017172224-
kynurenineKynurenineME447368161166C003282739-
lactateLactic acidME447369612C001861468.8-
lactobionateLactobionic acidME4473707314-645-
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*LacCer 18:1;O2/22:0ME447371--3842-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME447372--3778-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME447373--2527-
LAHSA (18:2/OH-18:0)*-ME447374--2936-
lanosterolLanosterolME447375246983C017242687-
laurate (12:0)Lauric acidME4473763893C026795300-
laurylcarnitine (C12)CAR 12:0ME44737710427569-1235-
leucineLeucineME4473786106C001232864-
leucylalanineLeu-AlaME447379259321-2801-
leucylglutamine*Leu-GlnME4473804305457-2620-
leucylglycineLeu-GlyME44738179070-2050-
levulinate (4-oxovalerate)Levulinic acidME44738211579-1433-
lignoceroylcarnitine (C24)*CAR 24:0ME447384--1603-
lignoceroyl ethanolamide (24:0)*-ME447383--2445-
limoninLimoninME447385179651D00173,C035143340-
linoleate (18:2n6)Linoleic acidME4473865280450C015955535-
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME4473875280934C064265450-
linolenoylcarnitine (C18:3)*CAR 18:3ME447388--1310-
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]*DG 18:3_18:3ME447389--2229-
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]*DG 18:3_18:3ME447390--2268-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME447392--2624-
linoleoylcarnitine (C18:2)*CAR 18:2ME4473936450015-1430-
linoleoyl ethanolamideLinoleoyl-EAME4473915283446-6150-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*DG 18:2_18:3ME447394--2426-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*DG 18:2_18:3ME447395--2478-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME447396--2689-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*DG 18:2_18:2ME447397--2760-
liquiritigeninLiquiritigeninME4473981889C097623345-
lisinoprilLisinoprilME4473993937-3292-
lithocholateLithocholic acidME4474009903C039905372-
loperamideLoperamideME4474013955C070801075-
loratadineLoratadineME4474023957D003641031-
L-urobilinL-UrobilinME4474035280818C057934624-
lysineLysineME4474045962C000472850-
lysylleucineLys-LeuME4474054682588-3370-
malateMalic acidME447406525C00149615.6-
maleateMaleic acidME447407444266C013842640-
malonateMalonic acidME447408867C003833447-
malonylcarnitineCAR DC3:0ME44740922833583-2086-
maltitol/lactitol/cellobiotol/palatinol-ME447410--750-
maltolMaltolME4474118369C119181896-
maltoseMaltoseME44741210991489C002083329.4-
maltotetraoseMaltotetraoseME447413446495C02052910-
maltotrioseMaltotrioseME447414439586C01835812-
mannitol/sorbitolSorbitolME4474155780C007942320-
mannoseMannoseME44741618950C001592200-
margarate (17:0)Margaric acidME44741710465-5731-
margaroylcarnitine (C17)*CAR 17:0ME447418--1424-
metforminMetforminME4474194091C071512817-
methionineMethionineME4474206137C000732526-
methionine sulfoneMethionine sulfoneME44742169961-1250-
methionine sulfoxideMethionine sulfoxideME447422158980C029891272-
methyl glucopyranoside (alpha + beta)Methyl glucoseME447423--832-
methyl indole-3-acetateIndole-3-methyl acetateME44742474706-3380-
methylmalonate (MMA)Methylmalonic acidME447425487C021703078.4-
methylphosphateMethanolphosphateME44742613130-544-
methylsuccinateMethylsuccinic acidME44742710349-2800-
metoprolol acid metabolite*-ME44742862936-2950-
mevalonateMevalonic acidME447429439230C021041462-
mevalonate 5-diphosphate5-Diphosphomevalonic acidME447430439418C01143575-
mevalonolactoneMevalonolactoneME44743110428-1375-
m-tyraminem-TyramineME44743211492-2701-
myo-inositolMyo-inositolME447433892C001373506.3-
myristate (14:0)Myristic acidME44743411005C064245440-
myristoleate (14:1n5)Myristoleic acidME4474355281119C083225346.9-
myristoylcarnitine (C14)CAR 14:0ME4474366426854-1350-
N('1)-acetylspermidineN1-AcetylspermidineME447437496C006123075-
N(1)-acetylspermineN1-AcetylspermineME447438916C025673356-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME44744269698C058421668-
N1-methyladenosine1-MethyladenosineME44689227476C024942120-
N1,N12-diacetylspermineN1,N12-DiacetylspermineME447441132680C034133105-
N2-acetyllysineN(2)-AcetyllysineME44744492907C129893372.6-
N-(2-furoyl)glycine2-FuroylglycineME44743921863-1600-
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...-ME447440--2692-
N2,N5-diacetylornithineN2,N5-DiacetylornithineME44744310398396-1310-
N6-acetyllysineN6-AcetyllysineME44744692832C027271059-
N6-carboxyethyllysineN(6)-(2-Carboxyethyl)-lysineME447447--680-
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME447448123800-2500-
N6-formyllysine-ME44744970923-1992-
N6-methyladenosineN6-MethyladenosineME4474501869-2264-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME447445440120C037932825-
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME447451193270-2100-
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME447452193270-2056-
N-acetylalanineN-AcetylalanineME44745388064C02847861.2-
N-acetylarginineN-AcetylarginineME44745467427C025622245-
N-acetylasparagineN-AcetylasparagineME44745599715-785-
N-acetylaspartate (NAA)N-Acetylaspartic acidME44745665065C010423143-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME4474575255C12270575.3-
N-acetyl-beta-glucosaminylamineN-Acetyl-beta-glucosaminylamineME447458439454C01239759-
N-acetyl-cadaverineN-AcetylcadaverineME447459189087-2385-
N-acetylcitrullineN-AcetylcitrullineME447460656979C15532940-
N-acetylcysteineN-AcetylcysteineME44746112035C068091416-
N-acetylglucosamine 6-sulfateGlucosamine 6-sulfateME447462193456C041321777-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME44746324139-715-
N-acetylglucosaminylasparagineAspartylglycosamineME447464123826C045401212-
N-acetylglutamateN-Acetylglutamic acidME44746570914C006241050-
N-acetylglutamineN-AcetylglutamineME447466182230C02716845-
N-acetylglycineN-AcetylglycineME44746710972-1780-
N-acetylhistamineN-AcetylhistamineME44746869602C051352287-
N-acetylhistidineN-AcetylhistidineME44746975619C029972065-
N-acetylisoleucineN-AcetylisoleucineME4474702802421-2325-
N-acetylleucineN-AcetylleucineME44747170912C027102400-
N-acetylmethionineN-AcetylmethionineME447472448580C027121787-
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME447473193368-880-
N-acetylmuramateN-Acetylmuramic acidME4474745462244C02713860-
N-acetylneuraminateN-Acetylneuraminic acidME447475439197C00270660-
N-acetylphenylalanineN-AcetylphenylalanineME44747674839C035192597-
N-acetylprolineN-Acetyl-prolineME447477322640-1695-
N-acetylputrescineN-AcetylputrescineME447478122356C027142230-
N-acetylpyrralineDehydroepiandrosteroneME447479--2545-
N-acetylserotoninN-AcetylserotoninME447480903C009781975-
N-acetylsphingosineCer 18:1;O2/2:0ME4474815497136C001956000-
N-acetyltaurineN-AcetyltaurineME447482159864-800-
N-acetylthreonineN-AcetylthreonineME447483152204-821.6-
N-acetyltryptophanN-Acetyl-tryptophanME447484700653C031372630-
N-acetyltyrosineN-AcetyltyrosineME44748568310-1680-
N-acetylvalineN-AcetylvalineME44748666789-1704-
N-alpha-acetylornithineN-AcetylornithineME447487439232C004372000-
naringeninNaringeninME447488932C005093437-
narirutinNarirutinME447489442431C097933700-
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME447490--3911-
N-carbamoylalanineN-CarbamoylalanineME447491426409-950-
N-carbamoylaspartateN-Carbamoylaspartic acidME44749293072C004383800-
N-carbamoylglutamateCarglumic acidME447493121396C05829865-
N-carbamoylsarcosineN-CarbamoylsarcosineME447494439375C01043920-
N-delta-acetylornithineN(5)-Acetyl-ornithineME4474959920500-1877-
neoponcirin-ME447496--4385.6-
nervonate (24:1n9)*Nervonic acidME4474975281120C083236804-
nervonoylcarnitine (C24:1)*CAR 24:1ME447498--1602-
N-formylanthranilic acidFormylanthranilic acidME447499101399C056532150-
N-formylmethionineN-FormylmethionineME447500439750C031451543.8-
N-formylphenylalanineN-FormylphenylalanineME447501759256-2360-
N-glycolylneuraminateN-Glycoloylneuraminic acidME447502123802C03410636-
nicotianamine(R,S,S)-NicotianamineME4475039882882C053241800-
nicotinamideNiacinamideME447504936C001531942-
nicotinamide ribosideNicotinamide ribosideME447505439924C031502040-
nicotinateNicotinic acidME447506938C002531673-
nicotinate ribonucleosideD-RibosylnicotinateME447507161234C058411536-
nicotinic acid mononucleotide (NaMN)Nicotinic acid mononucleotideME4475085288991C01185648-
N-methylalanineN-MethylalanineME4475095288725C027211536-
N-methyl-GABA4-(Methylamino)butyric acidME44751070703C159872109-
N-methylglutamateN-Methyl-glutamic acidME447511439377C010461300-
N-methylhydantoinN-MethylhydantoinME44751269217C025651425-
N-methylleucine-ME4475132777993-2787-
N-methylphenylalanine-ME4475144657542-2790-
N-methylpipecolateN-methyl pipecolic acidME44751511286529-1932-
N-methylprolineN-Methyl-prolineME447516557-1335-
N-methyltaurineN-MethyltaurineME4475177882-1650-
N-methyltryptophan-ME447518914C029832910-
N-monomethylarginineTarginineME447519132862C038842845-
nonadecanoate (19:0)Nonadecylic acidME44752012591C165356068-
norvalineNorvalineME447521824C018262582-
N-palmitoylglycineN-Palmitoyl glycineME447522151008-5580-
N-palmitoylserineN-Palmitoyl serineME4475236453686-5557-
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME4475245283572-3090-
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME4475255283564-2893-
N-palmitoyltaurineN-Palmitoyl taurineME447526--5560-
N-propionylalanine-ME447527321155-1335-
N-propionylmethionineN-propionylmethionineME447528103692-2290-
N-stearoyl-sphinganine (d18:0/18:0)*Cer 18:0;O2/18:0ME4475295283573-3526-
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME4475305283565-3392-
N-stearoyltaurineN-Stearoyl taurineME447531168274-5782-
N-trimethyl 5-aminovalerate-ME447532--2186-
O-acetylhomoserineO-Acetyl-homoserineME447533439389C010771850-
OAHSA (18:1/OH-18:0)-ME447534--3384-
octadecanedioate (C18-DC)Octadecanedioic acidME44753570095-5043-
o-hydroxyatorvastatin-ME4475369808225-5015-
oleanolateOleanolic acidME44753710494C171485563-
oleate/vaccenate (18:1)Oleic acidME447538--5655-
oleoylcarnitine (C18:1)CAR 18:1ME4475406441392-1423-
oleoylcholineOleoylcholineME447541--1449-
oleoyl ethanolamideOleoyl-EAME4475395283454-1661-
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*DG 18:1_18:3ME447542--2819-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME447543--3115-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME447544--3223-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*DG 18:1_18:1ME447545--3571-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*DG 18:1_18:1ME447546--3695-
ornithineOrnithineME4475476262C000772800-
orotateOrotic acidME447548967C002951638.1-
orotidineOrotidineME44754992751-2250-
O-sulfo-L-tyrosineSulfotyrosineME447550514186-990-
oxalate (ethanedioate)Oxalic acidME447551971C00209603-
PAHSA (16:0/OH-18:0)-ME447552--3411-
palmitate (16:0)Palmitic acidME447553985C002495618-
palmitoleate (16:1n7)Palmitoleic acidME447554445638C083625475-
palmitoleoylcarnitine (C16:1)*CAR 16:1ME44755571464547-1357-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME447556--2664-
palmitoylcarnitine (C16)CAR 16:0ME447560461C029901425-
palmitoylcholinePalmitoylcholineME447561151731-1482-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME4475579939965-2290-
palmitoyl ethanolamidePalmitoyl-EAME4475584671C165121643-
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*DG 16:0_18:3ME447562--2834-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*DG 16:0_18:2ME4475639543695-3080-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME447564--3197-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*DG 16:0_18:1ME447565-C138613695-
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME4475599939941-2168-
pantetheinePantetheineME447566439322C008312056-
pantothenatePantothenic acidME4475676613C008641667-
paraxanthineParaxanthineME4475684687C137471810-
p-cresolP-CresolME4475692879C014684154-
p-cresol sulfatep-Cresol sulfateME4475704615423-2890-
phenethylaminePhenylethylamineME4475711001C053323065-
phenol sulfatePhenyl hydrogen sulfateME44757274426C021802156-
phenylacetatePhenyl acetateME447573999C070862150-
phenylacetylglutamateN-Phenylacetylglutamic acidME44757411579826-2390-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME44757592258C041482330-
phenylacetylglycinePhenylacetylglycineME44757668144C055982375-
phenylalaninePhenylalanineME4475776140C000792878-
phenylalanylalaninePhe-AlaME4475785488196-2909-
phenylalanylglycinePhe-GlyME44757998207-2898-
phenyllactate (PLA)Phenyllactic acidME4475803848C056072208-
phenylpyruvatePhenylpyruvic acidME447581997C001662515-
pheophorbide APheophorbide aME4475825323510C180211562-
phosphatePhosphoric acidME4475831061C00009576-
p-hydroxyatorvastatin-ME4475859851106-4650-
p-hydroxyatorvastatin lactone-ME447586--990-
phytanatePhytanic acidME44758726840C016075908-
phytosphingosinePhytosphingosineME447588122121C121441367-
picolinatePicolinic acidME4475891018C10164910-
pimelate (C7-DC)Pimelic acidME447590385C026562745-
pipecolatePipecolic acidME447591849C004082200-
piperidinePiperidineME4475928082C017462500-
piperinePiperineME447593638024C038821168-
ponciretin-ME4475945118250-4365-
pregnanolone/allopregnanolone sulfate3alpha-Hydroxy-5beta-pregnane-20-oneME447596--5160-
pregnen-diol disulfate C21H34O8S2*-ME447597--3868-
pregnenolone sulfatePregnenolone sulfateME447598105074-5100-
pregn steroid monosulfate C21H34O5S*-ME447595--5000-
pristanatePristanic acidME447599123929-5773-
pro-hydroxy-proPro-hydroxyProME44760211673055-2128-
prolineProlineME447600145742C001481603-
prolylglycinePro-GlyME4476016426709-2136-
propionylglycinePropionylglycineME44760398681-960-
protoporphyrin IXProtoporphyrinME4476044971C021911417-
pseudoephedrinePseudoephedrineME4476057028C027653041-
pseudouridinePseudouridineME44760615047C02067800-
pterinPterinME44760773000C007151805-
putrescinePutrescineME4476081045C001343027-
pyridoxalPyridoxalME4476091050C002502343-
pyridoxaminePyridoxamineME4476101052C005342975-
pyridoxate4-Pyridoxic acidME4476116723C008472185-
pyridoxine (Vitamin B6)PyridoxineME4476121054C003142442-
pyroglutamine*PyroglutamineME447613134508-1900-
pyrralinePyrralineME447614122228-2304-
pyruvatePyruvic acidME4476151060C000222650-
quinateQuinic acidME4476166508C002962432.9-
quinineQuinineME4476172728270-3378-
quinolinateQuinolinic acidME4476181066C03722845-
ranitidineRanitidineME4476193001055D004222910-
rhoifolin-ME4476205282150C126273725-
ribitolRibitolME4476216912C004741789.6-
riboflavin (Vitamin B2)RiboflavinME447622493570C002552292-
ribonateRibonic acidME4476235460677C016852425-
riboseRiboseME4476245779C001211508.2-
ribulose/xyluloseXyluloseME4476255289590-1400-
rosmarinateRosmarinic acidME4476265281792C018502785-
(R)-salsolinol(R)-SalsolinolME44685954456C096422525-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME4476271196C043221528-
saccharinSaccharinME4476285143D010852000-
saccharopineSaccharopineME447629160556C00449640-
salicylateSalicylic acidME447630338C00805802-
S-allylcysteineS-AllylcysteineME44763198280-2690-
sarcosineSarcosineME4476321088C002131280-
S-carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME4476331080C037271490-
sebacate (C10-DC)Sebacic acidME4476345192C082771788-
secoisolariciresinolSecoisolariciresinolME44763565373C181673945-
secoisolariciresinol diglucoside-ME4476369917980-3380-
sedoheptuloseGlucoheptuloseME4476375459879-681-
serineSerineME4476385951C000651239-
serotoninSerotoninME4476395202C007802550-
sertralineSertralineME44764068617C072461070-
silibininSilibininME44764131553D085153655-
sitostanolDihydro-sitosterolME44764215559396C196443300-
skatol3-MethylindoleME4476436736C083134875-
S-methylcysteineMethylcysteineME44764424417-1955-
S-methylmethionineS-MethylmethionineME447645458C053192555-
solanidineSolanidineME44764665727C065431010-
spermidineSpermidineME4476471102C003153355-
sphingadienineSphingadienineME4476486449795-1350-
sphinganineSphinganineME4476493126C008361413-
sphingosineSphingosineME4476505353955C003191393-
stachydrineStachydrineME447651115244C101721440-
stearate (18:0)Stearic acidME4476525281C015305872-
stearidonate (18:4n3)Stearidonic acidME4476535312508C163005395-
stearoylcarnitine (C18)CAR 18:0ME4476556426855-1485-
stearoyl ethanolamideStearoyl-EAME44765427902-1787-
steviolSteviolME447656452967C202125327-
stigmasterolStigmasterolME4476575280794C054422875-
suberate (C8-DC)Suberic acidME44765810457C08278804.3-
succinateSuccinic acidME4476591110C000423149-
succinimideSuccinimideME44766011439C072732155-
succinylcarnitine (C4-DC)CAR DC4:0ME44766171464481-2291-
sucraloseSucraloseME44766271485C122853140-
sucroseSucroseME4476635988C000893092-
sulfate*SulfateME4476641118C00059616-
syringic acidSyringic acidME44766510742C108331450-
tartarateTartaric acidME447666444305C00898615.3-
taurineTaurineME4476671123C00245660-
taurochenodeoxycholateTaurochenodeoxycholic acidME447668387316C054655250-
taurocholateTaurocholic acidME4476696675C051225150-
taurocholenate sulfateTaurocholenate sulfateME447670--4750-
taurodeoxycholateTaurodeoxycholic acidME4476712733768C054635257.4-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME447672440071C036425027-
tauroursodeoxycholateTauroursodeoxycholic acidME4476739848818-5025-
tetrahydrocortisoneTetrahydrocortisoneME4476745866C054705121-
theanineN(5)-Ethyl-glutamineME447675439378C010472180-
theobromineTheobromineME4476765429C074801600-
theophyllineTheophyllineME4476772153C071301870-
thiamin (Vitamin B1)ThiamineME4476781130C003783050-
thioprolineThioprolineME44767993176-1250-
threonateThreonic acidME447680151152C016202384-
threonineThreonineME4476816288C001881514-
threonylphenylalanineThr-PheME4476824099799-2322-
thymidineThymidineME4476835789C002141963.7-
thymidine 5'-monophosphateTMPME4476869700C00364883-
thymineThymineME4476841135C001781654-
tiglylcarnitine (C5:1-DC)CAR DC5:1ME44768522833596-2962-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME4473445810C011571064-
trans-nonadecenoate (tr 19:1)*-ME447687--5824-
trans-urocanateUrocanic acidME447688736715C007852285-
trazadoneTrazodoneME4476895533C07156,D086263498-
tribuloside-ME4476905320686C171403933-
tricarballylate1,2,3-Propanetricarboxylic acidME44769114925C19806578-
tridecanedioate (C13-DC)Tridecanedioic acidME44769210458-3530-
trigonelline (N'-methylnicotinate)TrigonellineME4476935570C010041388-
trimethylamine N-oxideTrimethylamine N-oxideME4476941145C011042100-
tryptamineTryptamineME4476951150C003983062-
tryptophanTryptophanME4476966305C000782986-
tryptophan betaineLenticinME447697442106C092132673-
tryptophylglycineTrp-GlyME447698263471-2930-
tyramineTyramineME4476995610C004832540-
tyramine O-sulfateTyramine-O-sulfateME447700153005-1565-
tyrosineTyrosineME4477016057C000822430-
tyrosolTyrosolME44770210393C060442716-
tyrosylglycineTyr-GlyME447703259323-1635-
undecanedioate (C11-DC)Undecanedioic acidME44770415816-2440-
uracilUracilME4477051174C001061086-
urateUric acidME4477061175C00366757.1-
uridineUridineME4477076029C002991457.6-
uridine-2',3'-cyclic monophosphate2',3' cyclic UMPME447708439715C023551090-
ursocholateUrsocholic acidME447709--4648-
ursodeoxycholateUrsodeoxycholic acidME44771031401C078805055-
ursodeoxycholate sulfate (1)-ME447711--4328-
ursodeoxycholate sulfate (2)-ME447712--4538-
valerate (5:0)Valeric acidME4477137991C008031718-
valerylglycineValerylglycineME4477144737557-2071-
valerylphenylalanine-ME44771513890536-4176-
valineValineME4477166287C001832479-
valine betaine-ME447717--1370-
valsartanValsartanME4477185650-1092-
valylglutamineVal-GlnME4477195253209-2295-
valylglycineVal-GlyME447720136487-1506-
valylleucineVal-LeuME447721352039-3138-
vanillactateVanillactic acidME447722160637-1625-
vanillateVanillic acidME4477238468C066721100-
vanillinVanillinME4477241183C007552311.9-
xanthineXanthineME4477251188C003851032-
xanthosineXanthosineME44772664959C017621075-
xanthurenateXanthurenic acidME4477275699C024701476-
xyloseXyloseME447728135191C001811727-


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME4477465312435-5555-
10-hydroxystearateRosilic acidME4477479561835-5370-
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME447732--1566-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME447733--1558-
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME447734--1649-
11-ketoetiocholanolone sulfate-ME447748--4420-
12,13-DiHOME12,13-DiHOMEME44774910236635C148295137-
1,2,3-benzenetriol sulfate (1)-ME447735--1453-
1,2,3-benzenetriol sulfate (2)-ME447736--1709-
12-dehydrocholate12-Ketochenodeoxycholic acidME44775094235-4871-
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)-ME447737--1941-
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*MGDG 18:3/0:0/18:3ME4477385282287C138712046-
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*-ME447739--2256-
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*-ME4477406535011-2415-
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME4477415288075-2006-
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME447742452110D035852365-
1,3,7-trimethylurate1,3,7-Trimethyluric acidME44774379437C163611985-
1,3-dimethylurate1,3-Dimethyluric acidME44774470346-1671.4-
13-HODE + 9-HODEHODEME44775143013-5275-
13-HOTrE13S-HOTrEME44775216061072-1313-
(15:0)-anacardic acidAnacardic acidME447729167551C107595895-
(15:2)-anacardic acidAnacardic acidME44773011824131-5565-
15-methylpalmitate (i17:0)15-Methylpalmitic acidME44775317903417-5695-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME447754--4240-
1,7-dimethylurate1,7-Dimethyluric acidME44774591611C163561578.6-
17-methylstearate (i19:0)Xi-17-Methyloctadecanoic acidME4477553083779-5993-
1-linolenoyl-2-hexadecatrienoyl-galactosylglycerol...-ME447756--1911-
1-linolenoylglycerol (18:3)MG 18:3ME44775753480978-6214-
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:...DGDG 18:2_18:3ME447758--2073-
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/...MGDG 18:2_18:3ME447759--2209-
1-linoleoylglycerol (18:2)MG 18:2ME4477605283469-6477-
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME44776111988421C041001465-
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME44776252925130-1482-
1-methyladenine1-MethyladenineME44776378821C022162133-
1-methyl-beta-carboline-3-carboxylic acid-ME4477655406157-3190-
1-methylguanidineMethylguanidineME44776610111C022942149-
1-methylhistamine1-MethylhistamineME4477673614C051273040-
1-methylimidazoleacetateMethylimidazoleacetic acidME44776875810C058282064-
1-methylnicotinamide1-Methyl nicotinamideME44776910129985C029181940-
1-methylurate1-Methyluric acidME44777069726C163591461-
1-methylxanthine1-MethylxanthineME44777180220C163581568.8-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*PC 18:1_18:2ME447772--2165-
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME4477735283468-6650-
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME44777416081932-1540-
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME4477759547071-1554-
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME447776--5610-
1-oleoyl-GPI (18:1)*LPI 18:1/0:0ME447777--5599-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME44777810747814-2091-
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:...DGDG 16:0_18:3ME447779--2278-
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0...DGDG 16:0_18:2ME447780--2498-
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/1...MGDG 16:0_18:2ME447781--2731-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME4477825287971-2160-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME4477839546747-2275-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME447784--910-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME4477856436017-2358-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME4477865283496-2509-
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME44778786554-1525-
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME4477889547069-1544-
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME4477893300276-5570-
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME447790--5564-
1-palmitoyl-GPS (16:0)*LPS 16:0/0:0ME4477919547100-5572-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME447792--2380-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME447793--2644-
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME447794497299-1606-
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME4477959547068-1626-
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME447796--5816-
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME447797--5794-
1-stearoyl-GPS (18:0)*LPS 18:0/0:0ME4477989547101-5800-
20-hydroxyecdysone20-HydroxyecdysoneME4478075459840C026334021-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME447808134595-3935-
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME447800301941-1318-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME447801677C040391050-
2,3-dimethylsuccinate-ME44780211848-2800-
2,4,6-trihydroxybenzoate2,4,6-Trihydroxybenzoic acidME44780366520-1574-
2,4-dihydroxyhydrocinnamate-ME44780496384-1759-
2-(4-hydroxyphenyl)propionate4-Hydroxyphenyl-2-propionic acidME447799102526C030801797.3-
2,8-quinolinediolQuinoline-2,8-diolME44780597250C063422514-
2,8-quinolinediol sulfate-ME447806--2612-
2-acetamidobutanoate-ME447809306107-1340-
2-aminoadipatealpha-Aminoadipic acidME447810469C00956639.2-
2-aminoheptanoate2-Aminoheptanoic acidME447811227939-3160-
2-aminophenol2-AminophenolME4478125801C019872644-
2-aminophenol sulfate2-Aminophenyl sulfateME447813181670-1677-
2'-deoxyadenosineDeoxyadenosineME44781413730C005592252-
2'-deoxyadenosine 5'-monophosphatedAMPME44781512599C003601284-
2'-deoxycytidineDeoxycytidineME44781613711C008812193-
2'-deoxycytidine 5'-monophosphatedCMPME44807113945C00239975-
2'-deoxyguanosineDeoxyguanosineME447817187790C003301751-
2'-deoxyinosineDeoxyinosineME44781865058C055121688-
2'-deoxyuridineDeoxyuridineME44781913712C005261586-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME447820164623-1800-
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME44782186290013-1674-
2-hydroxybehenate2-Hydroxy behenic acidME447822193484-6384-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME447823--1258-
2-hydroxydecanoate2-Hydroxycapric acidME44782421488-4840-
2-hydroxyglutarate2-Hydroxyglutaric acidME44782543C026303352.8-
2-hydroxyhippurate (salicylurate)Salicyluric acidME44782610253C075882184-
2-hydroxyibuprofen2-HydroxyibuprofenME44782710443535-3462-
2-hydroxylaurate2-Hydroxylauric acidME44782897783-5211-
2-hydroxypalmitate2-Hydroxypalmitic acidME44782992836-5511.2-
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME44783011970C05852858.6-
2-isopropylmalate2-Isopropylmalic acidME44783177C025042605-
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME447832161227C002041900-
2-linoleoylglycerol (18:2)MG 18:2ME4478335365676-6250-
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME44783486290014-1949-
2-methylcitrate/homocitrateHomocitric acidME447835--575-
2-methylserine2-MethylserineME44783694309C021151652-
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME4478375319879-6500-
2'-O-methyluridine2'-O-MethyluridineME447838102212-1831-
2-oxindole-3-acetate2-Oxindole-3-acetateME4478393080590-2378-
2-oxo-1-pyrrolidinepropionate-ME4478403146688-1600-
2-oxoarginine*2-OxoarginineME447841558C037711760-
2-palmitoylglycerol (16:0)MG 0:0/16:0/0:0ME447842123409-6400-
2-piperidinone2-PiperidinoneME44784312665-1675-
3-(2-hydroxyphenyl)propionate3-(2-Hydroxyphenyl)propanoic acidME447844873C011982530-
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME44784591C114571980-
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME447846187488-1294-
3,4-dihydroxybenzoateProtocatechuic acidME44785172C00230729-
3,4-dihydroxyphenylacetate3,4-Dihydroxybenzeneacetic acidME447852547C011611040-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME4478479378C036721390.6-
3-(4-hydroxyphenyl)propionateDesaminotyrosineME44784810394C017441670-
3,5-dihydroxybenzoic acid3,5-Dihydroxybenzoic acidME4478537424-785.4-
3,7-dimethylurate3,7-Dimethyluric acidME44785483126C163601418.2-
3-aminoisobutyrate3-Aminoisobutanoic acidME44785564956C051452190-
3beta-hydroxy-5-cholestenoateCholestenoic acidME447856165511C173335398-
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME44785792997-5205-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME447858123979-2800-
3-carboxyadipate-ME447859222467-571-
3-(cystein-S-yl)acetaminophen*3-(Cystein-S-yl)acetaminophenME4478495233914-2420-
3-dehydrocholate3-Dehydrocholic acidME447860159655-5050-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME447861188979-975-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME4478621662C037612850-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME447863441C010891444-
3-hydroxycinnamatetrans-m-Coumaric acidME447864637541C126211960-
3-hydroxydecanoate3-Hydroxydecanoic acidME44786526612-4634.7-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME447866151492-1725-
3-hydroxyhippurate3-Hydroxyhippuric acidME447867450268-1687-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME44786887C060011619-
3-hydroxylaurate3-Hydroxydodecanoic acidME44786994216-5175-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME44787026613-3446-
3-hydroxypalmitate3-Hydroxyhexadecanoic acidME447871301590-5476-
3-hydroxyphenylacetate3-Hydroxyphenylacetic acidME44787212122C055931220-
3-hydroxypyridine3-HydroxypyridineME4478737971-2292-
3-hydroxyquinine3-HydroxyquinineME447874441264C073443271-
3-hydroxysebacate3-Hydroxysebacic acidME4478753017884-1282-
3-hydroxysuberate3-Hydroxysuberic acidME44787622328017-644-
3-hydroxyvalerate3-Hydroxyvaleric acidME447877107802-1241-
3-indoxyl sulfateIndoxyl sulfateME44787810258-2222.2-
3-ketosphinganine3-KetosphinganineME447879631C029341400-
3-methyl-2-oxobutyrateKetoisovaleric acidME44788049C00141911-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME44788147C006712064.2-
3-methyladipate3-Methyladipic acidME44788212292-2865-
3-methylglutaconate3E-Methylglutaconic acidME4478831551553-2700-
3-methylglutarate/2-methylglutarateMethylglutaric acidME447884--2832-
3-methylhistidine3-MethylhistidineME44788564969C011522670-
3-methylurate*3-Methyluric acidME44788611804-1024-
3-methylxanthine3-MethylxanthineME44788770639C163571700-
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME44785083967-2094-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME447888107C056292860-
3-sulfo-L-alanineCysteic acidME44788972886C00506570-
3-ureidopropionateUreidopropionic acidME447890111C02642875-
4-acetamidobenzoate4-Acetamidobenzoic acidME44789119266D038361403-
4-acetamidobutanoate4-Acetamidobutanoic acidME44789218189C029461350-
4-acetamidophenolAcetaminophenME4478931983C068042173.7-
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME44789483944-1400-
4-acetaminophen sulfateParacetamol sulfateME44789583939C068041792-
4-cholesten-3-oneCholestenoneME44789691477C005992520-
4-ethylphenylsulfate4-EthylphenolME447897-C136373580-
4-guanidinobutanoate4-Guanidinobutanoic acidME447898500C010352320-
4-hydroxybenzoate4-Hydroxybenzoic acidME447899135C001561305-
4-hydroxybenzyl alcohol4-Hydroxybenzyl alcoholME447900125C174672215-
4-hydroxychlorothalonil4-HydroxychlorothalonilME44790134217-4427-
4-hydroxycinnamatecis-p-Coumaric acidME447902637542C008111457-
4-hydroxycyclohexylcarboxylic acid4-Hydroxycyclohexylcarboxylic acidME447903151138C044042005-
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME447904439902C030791141-
4-hydroxyhippurate4-Hydroxyhippuric acidME447905151012-1475-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME447906127C006421361-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME447907979C011791690-
4-imidazoleacetateImidazoleacetic acidME44790896215C028352055-
4-methyl-2-oxopentanoateKetoleucineME44790970C002332170-
4-methylcatechol sulfate-ME447910--2665-
4-methylthio-2-oxobutanoate2-Oxo-4-methylthiobutanoic acidME447911473C011801635-
4-oxo-retinoic acid-ME4479126437063-1298-
4-ureidobutyrate-ME4479131571307-1095-
5-(2-Hydroxyethyl)-4-methylthiazole5-(2-Hydroxyethyl)-4-methylthiazoleME4479141136C042942310-
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME44791588299C163661710-
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME447916108214C163651424-
5alpha-androstan-3alpha,17alpha-diol disulfate-ME447917--4547-
5alpha-androstan-3alpha,17alpha-diol monosulfate-ME447918--5208-
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME447919--4275-
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME447920--4925-
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME447921--4215-
5alpha-androstan-3beta,17alpha-diol monosulfate (1...-ME447922--4806-
5alpha-androstan-3beta,17alpha-diol monosulfate (2...-ME447923--5095-
5alpha-androstan-3beta,17beta-diol disulfate-ME447924242332C125253880-
5alpha-androstan-3beta,17beta-diol monosulfate (1)-ME447925--4635-
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME447926--4685-
5alpha-pregnan-3(alpha or beta),20beta-diol disulf...-ME4479275127902-4310-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME447928--3962-
5alpha-pregnan-3beta,20alpha-diol monosulfate (1)-ME447929--4928-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME447930--5060-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME447931--5180-
5alpha-pregnan-3beta-ol,20-one sulfate-ME447932--5136-
5-aminovalerate5-Aminopentanoic acidME447933138C004312220-
5-dodecenoate (12:1n7)5-Dodecenoic acidME4479345312378-5224-
5-hydroxy-2-indolecarboxylic acid-ME44793588958-1270-
5-hydroxyhexanoate5-Hydroxycaproic acidME447936170748-1267-
5-hydroxylysine5-HydroxylysineME4479371029C167412790-
5-hydroxymethylfurfural5-Hydroxymethyl-2-furancarboxaldehydeME447938237332C111011542-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME447939439176C001702752-
5-methyluridine (ribothymidine)RibothymidineME447940445408-1778.1-
5-oxoprolinePyroglutamic acidME4479417405C01879738.5-
6-hydroxynicotinate6-Hydroxynicotinic acidME44794272924C010202000-
6-oxolithocholate6-Ketolithocholic acidME447943164960-5033-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME4479443014237-965-
7-ketocholesterol7-Oxo-cholesterolME44794591474-2413-
7-ketodeoxycholate7-Ketodeoxycholic acidME447946188292-4821-
7-ketolithocholate7-Ketolithocholic acidME447947444262-5082-
7-methylguanine7-MethylguanineME44794811361C022422175-
7-methylurate7-Methyluric acidME44794969160C163551321-
7-methylxanthine7-MethylxanthineME44795068374C163531350-
8-hydroxyguanine8-HydroxyguanineME44795165154C20155951-
8-hydroxyoctanoate8-Hydroxyoctanoic acidME44795269820-2300-
9,10-DiHOME9,10-DiHOMEME4479539966640C148285180-
acesulfameAcesulfameME44795436573-756-
acetylcarnitine (C2)CAR 2:0ME4479551C025712282-
acisogaAcisogaME447956129397-1813-
adenineAdenineME447957190C001472221-
adenosineAdenosineME44795860961C002122169-
adenosine-2',3'-cyclic monophosphate2',3' cyclic AMPME4479592024C023531793-
adenosine 5'-monophosphate (AMP)AMPME4479746083C000201013-
adipate (C6-DC)Adipic acidME447960196C061043000-
agmatineAgmatineME447961199C001793057-
alanineAlanineME4479625950C000411700-
alanylleucineAla-LeuME447963259583-3055-
allantoinAllantoinME447964204C023501672-
allo-threonineAllothreonineME44796599289C055192511.1-
alpha-CEHC sulfatealpha-CEHC sulfateME447966--3090-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME44796783697C032641840-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME44796899823-1052-
alpha-ketoglutarate2-Oxoglutaric acidME44796951C000262700-
alpha-methylornithine-ME4479702113-2630-
alpha-tocopherolalpha-TocopherolME44797114985C024772522-
alpha-tocopherol acetateTocopherol acetateME4479722117C132022702-
alpha-tocotrienolalpha-TocotrienolME4479735282347C141531986-
androstenediol (3alpha, 17alpha) monosulfate (2)-ME447975--4712-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME44797687120982C042953740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME44797787120982C042954065-
androstenediol (3beta,17beta) monosulfate (1)-ME44797813847309-4535-
androstenediol (3beta,17beta) monosulfate (2)-ME447979--4500-
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME447980159663-5022-
anserineAnserineME447981112072C012622924-
anthranilate2-Aminobenzoic acidME447982227C001082606-
apigeninApigeninME4479835280443C014773845-
arabinoseArabinoseME44798466308C002161804.5-
arabitol/xylitolArabitolME4479856912C019041932.4-
arabonate/xylonateArabinonic acid/Xylonic acidME447986--2700-
arachidate (20:0)Arachidic acidME44798710467C064256240-
arachidonate (20:4n6)Arachidonic acidME447988444899C002195535-
arachidoylcarnitine (C20)*CAR 20:0ME447990--1512-
arachidoyl ethanolamide (20:0)*Eicosanoyl-EAME4479893787294-1941-
argininate*Argininic acidME447991160437-2150-
arginineArginineME447992232C000622825-
argininosuccinateArgininosuccinic acidME447993828C034062745-
asparagineAsparagineME4479946267C001521225-
aspartateAspartic acidME4479955960C000491165-
atenololAtenololME4479962249D002352668-
azelate (C9-DC)Azelaic acidME4479972266C082611276-
azithromycinAzithromycinME4479982269C06838918-
behenate (22:0)*Behenic acidME4479998215C082816745-
behenoylcarnitine (C22)*CAR 22:0ME448001--1561-
behenoyl ethanolamide (22:0)*Behenoyl-EAME4480003023585-2164-
benzoateBenzoic acidME448002243C001801750-
benzoylecgonineBenzoyl ecgonineME448003442997C108473061-
berberineBerberineME448004--795-
beta-alaninebeta-AlanineME448005239C000991905-
beta-cryptoxanthinCryptoxanthinME4480066384256-2560-
beta-guanidinopropanoate3-Guanidinopropanoic acidME44800767701C030652145-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME44800869362-1149.8-
betaineBetaineME448009247C007191064-
beta-muricholatebeta-Muricholic acidME4480105283853C177264794-
beta-sitosterolSitosterolME448011222284C017533054-
bilirubin (E,E)*BilirubinME4480135315454-1045-
bilirubin (E,Z or Z,E)*BilirubinME4480145799469-1265-
bilirubin (Z,Z)BilirubinME4480125280352C004861840-
biliverdinBiliverdinME4480155353439C005004695.6-
biochanin ABiochanin AME4480165280373C008144681.8-
biotinBiotinME448017171548C001202253-
bufotenineBufoteninME44801810257C082992564-
butyrylglutamine/isobutyrylglutamine-ME448019--1526-
butyrylglycineN-ButyrylglycineME44802088412-1470-
cadaverineCadaverineME448021273C016723036-
caffeateCaffeic acidME448022689043C011971165-
caffeic acid sulfate-ME448023--870-
caffeineCaffeineME4480242519C074812106-
campesterolCampesterolME448025173183C017892873-
caprate (10:0)Capric acidME4480262969C015715090.7-
caproate (6:0)Caproic acidME4480278892C015852713.7-
caprylate (8:0)Caprylic acidME448028379C064234362-
capsaicinCapsaicinME4480291548943C068661165-
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME4480302572-2085-
carboxyibuprofenCarboxyibuprofenME44803110444113-1920-
carnitineCarnitineME44803210917C003181978-
carnosineCarnosineME448033439224C00386804-
carotene diol (1)Carotene diolME448034--1720-
carotene diol (2)Carotene diolME448035--1904-
carotene diol (3)Carotene diolME448036--1948-
catechol sulfateCatechol sulfateME4480373083879-1906-
ceramide (d16:1/24:1, d18:1/22:1)*Cer 40:2;O2ME448038--3850-
ceramide (d18:1/14:0, d16:1/16:0)*Cer 36:1;O2ME448039--2477-
ceramide (d18:1/17:0, d17:1/18:0)*Cer 35:1;O2ME448040--3055-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*Cer 38:1;O2ME448041--3920-
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME448042--3858-
cerotoylcarnitine (C26)*CAR 26:0ME448043--1649-
cetirizineCetirizineME4480442678C077781052-
chenodeoxycholateChenodeoxycholic acidME44804510133C025285264-
chiro-inositol1D-chiro-InositolME448046-C198913191.2-
cholateCholic acidME448047221493C006955165-
cholate sulfate-ME448048--4557-
cholesterolCholesterolME44804911025495C001872707-
cholineCholineME448050305C001141961-
choline phosphateCholine phosphateME4484561014C00588700-
chrysoeriolChrysoeriolME4480515280666C042933870-
ciliatine (2-aminoethylphosphonate)CiliatineME448052339C03557736-
cinnamatetrans-Cinnamic acidME448053444539C004232878-
cis-4-hydroxycyclohexylacetic acidcis-4-Hydroxycyclohexylacetic acidME448054--1185-
cis-urocanateUrocanic acidME4480551549103-1200-
citrateCitric acidME448056311C00158582-
citrullineCitrullineME4480579750C003271520-
coprostanolCoprostanolME448058221122-2850-
creatineCreatineME448059586C003001947-
creatinineCreatinineME448060588C007912055-
curcuminCurcuminME448061969516C104435142-
cysteineCysteineME4480625862C000971488-
cysteine s-sulfateCysteine-S-sulfateME448063115015C05824640.9-
cysteine sulfinic acid3-Sulfino-alanineME448064109C00606597-
cysteinylglycineCys-GlyME448065439498C014192132-
cystineCystineME44806667678C004912000-
cytidineCytidineME4480676175C004752124-
cytidine 2',3'-cyclic monophosphate2',3' cyclic CMPME448068417654C02354769-
cytosineCytosineME448069597C003802060-
daidzeinDaidzeinME4480705281708C102083566-
dehydroisoandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME44807212594C045554745-
dehydrolithocholateDehydrolithocholic acidME448073159623-5360-
delta-tocopheroldelta-TocopherolME44807492094C141512259-
deoxycarnitine3-DehydroxycarnitineME448075134C011812052-
deoxycholateDeoxycholic acidME448076222528C044835294-
deoxycholic acid sulfate-ME448077--4880-
deoxymugineic acid-ME448078--1036-
dexlansoprazoleDexlansoprazoleME4480799578005D08903827-
dexpanthenolPantothenolME4480804678D037261740-
dextromethorphanDextromethorphanME4480815362449C06947904-
diacetylchitobioseN,N'-DiacetylchitobioseME448082439544C01674790-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*DG 34:3ME448083--2733-
diaminopimelate2,6-Diaminopimelic acidME448084439283C006662569-
diethanolamineDiethanolamineME4480858113C067721960-
digalacturonic acidDigalacturonic acidME4480866857565C02273603.5-
diglycerolDiglycerolME44808742953-818-
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME4480886439848C165255730-
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME4480895280581C032425596-
dihomo-linolenoylcarnitine (20:3n3 or 6)*CAR 20:3ME448090--1392-
dihydoxyphenylalanine (L-DOPA)DOPAME4480916047C003552215-
dihydrocaffeate3,4-Dihydroxyhydrocinnamic acidME448092348154C104471430-
dihydroferulic acidDihydroferulic acidME44809314340-1928-
dihydroorotate4,5-Dihydroorotic acidME448094648C003371910-
dimethylarginine (SDMA + ADMA)DimethylarginineME448095123831C036262850-
dimethylglycineDimethylglycineME448096673C010261104-
dimethylmalonic acidDimethylmalonic acidME44809711686-2702-
diosmetinDiosmetinME4480985281612C100384081-
diosminDiosminME4480995702226-3905-
diphenhydramineDiphenhydramineME4481003100C06960911-
dipicolinate2,6-Pyridinedicarboxylic acidME44810110367-1695-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME4481025282807C165336034-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME448103445580C064295525-
docosapentaenoate (n3 DPA; 22:5n3)DPAME4481046441454C165135571-
dodecanedioate (C12-DC)Dodecanedioic acidME44810512736C026782990-
dopamineDopamineME448106681C037582385-
dopamine 3-O-sulfateDopamine 3-O-sulfateME448107122136C136901556.2-
D-urobilinD-UrobilinME4481086276321C05795935-
ectoineEctoineME448109126041C062311980-
eicosanoylsphingosine (d20:1)*C20 SphingosineME448110--1443-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME448111446284C064285450-
eicosenoate (20:1)cis-Gondoic acidME4481125282768C165265950-
enterodiolEnterodiolME448113123725-4327-
enterolactoneEnterolactoneME44811410685477-4515-
epiandrosterone sulfateEpiandrosteroneME4481159929317-4855-
epicatechinEpicatechinME44811672276C097272868-
ergosterolErgosterolME448117444679C016942420-
eriodictyolEriodictyolME44811811095C056313120-
erucate (22:1n9)cis-Erucic acidME4481195281116C083166355.6-
erucoylcarnitine (C22:1)*CAR 22:1ME448120--1535-
erythronate*Erythronic acidME4481212781043-2186-
erythroseErythroseME44812294176C01796780-
escitalopramEscitalopramME448123146570D07913908-
ethylmalonateEthylmalonic acidME44812411756-2785-
famotidineFamotidineME4481255702160D003182718-
fenofibrateFenofibrateME4481263339C075861480-
ferulatetrans-Ferulic acidME448127445858C014941755-
ferulic acid 4-sulfateFerulic acid 4-sulfateME4481286305574-1200-
feruloylputrescineSubaphyllineME4481295281796C104972862-
fexofenadineFexofenadineME4481303348C06999944-
flavin mononucleotide (FMN)FMNME448131710C000612390-
formiminoglutamateFormiminoglutamic acidME448132439233C004391880-
fructoseFructoseME4481335984C000952065-
fucitolFucitolME4481343429-816.1-
fucoseFucoseME44813519466C01018750-
fumarateFumaric acidME448136444972C001223084-
furaneol sulfate-ME448137--1900-
gabapentinGabapentinME4481383446D003322407.4-
galactonateGalactonic acidME448139128869C008803085-
galacturonateGalacturonic acidME44814084740C083483527.2-
gamma-CEHCgamma-CEHCME448141133098-3843-
gamma-glutamylalaninegamma-GlutamylalanineME448142440103-1986-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME44814365254-2784-
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME4481447015685-2717-
gamma-glutamylglutamategamma-Glutamylglutamic acidME44814592865C05282598.3-
gamma-glutamylglutaminegamma-GlutamylglutamineME448146150914C052831430-
gamma-glutamylglycinegamma-GlutamylglycineME448147165527-1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME4481487017195-2740-
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME44814914253342-2940-
gamma-glutamylleucinegamma-GlutamylleucineME448150151023-2991-
gamma-glutamylmethioninegamma-GlutamylmethionineME4481517009567-2640-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME448152111299-1825-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME44815394340-2518-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME448154--2384-
gamma-tocotrienolgamma-TocotrienolME4481555282349C141551918-
genisteinGenisteinME4481565280961C065633754-
gentisateGentisic acidME4481573469C00628905-
gentisic acid-5-glucoside-ME44815810914066-1434-
gluconateGluconic acidME44815910690C002572922-
glucoseGlucoseME44816079025C000312342-
glucuronateGlucuronic acidME448161444791C001913233.3-
glutamateGlutamic acidME448162611C000251500-
glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME44816368662-2170-
glutamineGlutamineME4481645961C000641291-
glutaminylleucineGln-LeuME44816518218208-3009-
glutamyl-meso-diaminopimelate-ME448166--2555-
glutarate (C5-DC)Glutaric acidME448167743C004892900-
glycerateGlyceric acidME448168752C002582070.4-
glycerolGlycerolME448169753C00116758-
glycerol 3-phosphatesn-Glycero-3-phosphateME448170754C00093580-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME448171123874C01233659-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME448172439964C03274520-
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME448173167572-516-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME44817471920C00670672-
glycerophosphoserine*sn-Glycero-3-phosphoserineME4481753081457-577-
glycineGlycineME448176750C000371375-
glyciteinGlyciteinME4481775317750C145363245-
glycochenodeoxycholateGlycochenodeoxycholic acidME44817812544C054665236.1-
glycocholateGlycocholic acidME44817910140C019215163-
glycocholenate sulfate*Glycocholenate sulfateME448180--4750-
glycodeoxycholateGlycodeoxycholic acidME4481813035026C054645281-
glycolithocholate sulfate*Sulfoglycolithocholic acidME44818272222C113015011-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME448183--3414-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME448184--2623-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME448185--3053-
glycoursodeoxycholateGlycoursodeoxycholic acidME44818612310288-5033-
glycylisoleucineGly-IleME44818788079-3002-
glycylleucineGly-LeuME44818892843C021553059-
glycylvalineGly-ValME44818997417-2734-
glycyrrhetinateGlycyrrhetinic acidME44819018526330C022835371.4-
guanidinoacetateGuanidoacetic acidME448191763C005811937-
guanineGuanineME448192764C002422032-
guanosineGuanosineME4481936802C003871728-
guanosine-2',3'-cyclic monophosphate2',3' cyclic GMPME44819492823C061941480-
harmaneHarmanME4481955281404C092093234-
hemeHemeME44819626945C000321124-
heptadecasphingosine (d17:1)C17 SphingosineME4481975283557-1377-
heptanoate (7:0)Heptylic acidME4481988094C177143670-
hesperetinHesperetinME44819972281C017093679-
hesperidinHesperidinME44820010621C097553867-
hexadecadienoate (16:2n6)Hexadecadienoic acidME448201--5398-
hexadecanedioate (C16-DC)Hexadecanedioic acidME44820210459C196154615-
hexadecasphinganine (d16:0)*C16 SphinganineME448203656816C139151300-
hexadecasphingosine (d16:1)*C16 SphingosineME448204--1289-
hexadecatrienoate (16:3n3)7,10,13-Hexadecatrienoic acidME4482055312428-5330-
hexanoylglycineHexanoylglycineME44820699463-2900-
hippurateHippuric acidME448207464C015862106.9-
histamineHistamineME448208774C003883035-
histidineHistidineME4482096274C00135755.9-
histidylalanineHis-AlaME448210351667-3014-
homocitrullineHomocitrullineME44821165072C024271908-
homovanillate sulfateHomovanillic acidME44821229981063-1047-
hydantoin-5-propionic acidHydantoin-5-propionic acidME448213782C055651045-
hydrochlorothiazideHydrochlorothiazideME4482143639C070412046-
hydroxymethylpyrimidine4-Amino-5-hydroxymethyl-2-methylpyrimidineME448215777C012792207-
hyocholateHyocholic acidME44821792805C176495046-
hypoxanthineHypoxanthineME448218790C002621291.2-
ibuprofenIbuprofenME4482193672D001264925-
imidazole lactateImidazolelactic acidME448220440129C055682040-
imidazole propionateImidazole propanoateME44822170630-2263-
indoleIndoleME448222798C004634302-
indole-3-acetamide1H-Indole-3-acetamideME448223397C026932306-
indole-3-carboxylic acidIndole-3-carboxylic acidME44822469867C198371710-
indoleacetateIndoleacetic acidME448225802C009542200-
indoleacetylaspartate-ME448226446620-1685-
indolelactateIndolelactic acidME44822792904C020432286-
indolepropionate3-Indolepropionic acidME4482283744-2795-
indolin-2-oneIndolin-2-oneME448229321710C123122575-
inosineInosineME4482306021C002941269-
isobutyrylglycineIsobutyrylglycineME44823110855600-1420-
isocaproate (i6:0)Isocaproic acidME44823212587-2570-
isoleucineIsoleucineME4482336306C004072800-
isoleucylglycineIle-GlyME448234342532-1992-
isoursodeoxycholateIsoursodeoxycholic acidME448235127601C176624809-
isovalerate (i5:0)Isovaleric acidME44823610430C082621564-
isovalerylglycineIsovalerylglycineME448237546304-1950-
I-urobilinogenMesobilirubinogenME44823826818C057904190-
kynurenateKynurenic acidME4482393845C017172224-
kynurenineKynurenineME448240161166C003282739-
lactateLactic acidME448241612C001861468.8-
lactobionateLactobionic acidME4482427314-645-
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*LacCer 18:1;O2/22:0ME448243--3842-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME448244--3778-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME448245--2527-
LAHSA (18:2/OH-18:0)*-ME448246--2936-
lanosterolLanosterolME448247246983C017242687-
laurate (12:0)Lauric acidME4482483893C026795300-
laurylcarnitine (C12)CAR 12:0ME44824910427569-1235-
leucineLeucineME4482506106C001232864-
leucylalanineLeu-AlaME448251259321-2801-
leucylglutamine*Leu-GlnME4482524305457-2620-
leucylglycineLeu-GlyME44825379070-2050-
levulinate (4-oxovalerate)Levulinic acidME44825411579-1433-
lignoceroylcarnitine (C24)*CAR 24:0ME448256--1603-
lignoceroyl ethanolamide (24:0)*-ME448255--2445-
limoninLimoninME448257179651D00173,C035143340-
linoleate (18:2n6)Linoleic acidME4482585280450C015955535-
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME4482595280934C064265450-
linolenoylcarnitine (C18:3)*CAR 18:3ME448260--1310-
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]*DG 18:3_18:3ME448261--2229-
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]*DG 18:3_18:3ME448262--2268-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME448264--2624-
linoleoylcarnitine (C18:2)*CAR 18:2ME4482656450015-1430-
linoleoyl ethanolamideLinoleoyl-EAME4482635283446-6150-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*DG 18:2_18:3ME448266--2426-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*DG 18:2_18:3ME448267--2478-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME448268--2689-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*DG 18:2_18:2ME448269--2760-
liquiritigeninLiquiritigeninME4482701889C097623345-
lisinoprilLisinoprilME4482713937-3292-
lithocholateLithocholic acidME4482729903C039905372-
loperamideLoperamideME4482733955C070801075-
loratadineLoratadineME4482743957D003641031-
L-urobilinL-UrobilinME4482755280818C057934624-
lysineLysineME4482765962C000472850-
lysylleucineLys-LeuME4482774682588-3370-
malateMalic acidME448278525C00149615.6-
maleateMaleic acidME448279444266C013842640-
malonateMalonic acidME448280867C003833447-
malonylcarnitineCAR DC3:0ME44828122833583-2086-
maltitol/lactitol/cellobiotol/palatinol-ME448282--750-
maltolMaltolME4482838369C119181896-
maltoseMaltoseME44828410991489C002083329.4-
maltotetraoseMaltotetraoseME448285446495C02052910-
maltotrioseMaltotrioseME448286439586C01835812-
mannitol/sorbitolSorbitolME4482875780C007942320-
mannoseMannoseME44828818950C001592200-
margarate (17:0)Margaric acidME44828910465-5731-
margaroylcarnitine (C17)*CAR 17:0ME448290--1424-
metforminMetforminME4482914091C071512817-
methionineMethionineME4482926137C000732526-
methionine sulfoneMethionine sulfoneME44829369961-1250-
methionine sulfoxideMethionine sulfoxideME448294158980C029891272-
methyl glucopyranoside (alpha + beta)Methyl glucoseME448295--832-
methyl indole-3-acetateIndole-3-methyl acetateME44829674706-3380-
methylmalonate (MMA)Methylmalonic acidME448297487C021703078.4-
methylphosphateMethanolphosphateME44829813130-544-
methylsuccinateMethylsuccinic acidME44829910349-2800-
metoprolol acid metabolite*-ME44830062936-2950-
mevalonateMevalonic acidME448301439230C021041462-
mevalonate 5-diphosphate5-Diphosphomevalonic acidME448302439418C01143575-
mevalonolactoneMevalonolactoneME44830310428-1375-
m-tyraminem-TyramineME44830411492-2701-
myo-inositolMyo-inositolME448305892C001373506.3-
myristate (14:0)Myristic acidME44830611005C064245440-
myristoleate (14:1n5)Myristoleic acidME4483075281119C083225346.9-
myristoylcarnitine (C14)CAR 14:0ME4483086426854-1350-
N('1)-acetylspermidineN1-AcetylspermidineME448309496C006123075-
N(1)-acetylspermineN1-AcetylspermineME448310916C025673356-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME44831469698C058421668-
N1-methyladenosine1-MethyladenosineME44776427476C024942120-
N1,N12-diacetylspermineN1,N12-DiacetylspermineME448313132680C034133105-
N2-acetyllysineN(2)-AcetyllysineME44831692907C129893372.6-
N-(2-furoyl)glycine2-FuroylglycineME44831121863-1600-
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...-ME448312--2692-
N2,N5-diacetylornithineN2,N5-DiacetylornithineME44831510398396-1310-
N6-acetyllysineN6-AcetyllysineME44831892832C027271059-
N6-carboxyethyllysineN(6)-(2-Carboxyethyl)-lysineME448319--680-
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME448320123800-2500-
N6-formyllysine-ME44832170923-1992-
N6-methyladenosineN6-MethyladenosineME4483221869-2264-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME448317440120C037932825-
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME448323193270-2100-
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME448324193270-2056-
N-acetylalanineN-AcetylalanineME44832588064C02847861.2-
N-acetylarginineN-AcetylarginineME44832667427C025622245-
N-acetylasparagineN-AcetylasparagineME44832799715-785-
N-acetylaspartate (NAA)N-Acetylaspartic acidME44832865065C010423143-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME4483295255C12270575.3-
N-acetyl-beta-glucosaminylamineN-Acetyl-beta-glucosaminylamineME448330439454C01239759-
N-acetyl-cadaverineN-AcetylcadaverineME448331189087-2385-
N-acetylcitrullineN-AcetylcitrullineME448332656979C15532940-
N-acetylcysteineN-AcetylcysteineME44833312035C068091416-
N-acetylglucosamine 6-sulfateGlucosamine 6-sulfateME448334193456C041321777-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME44833524139-715-
N-acetylglucosaminylasparagineAspartylglycosamineME448336123826C045401212-
N-acetylglutamateN-Acetylglutamic acidME44833770914C006241050-
N-acetylglutamineN-AcetylglutamineME448338182230C02716845-
N-acetylglycineN-AcetylglycineME44833910972-1780-
N-acetylhistamineN-AcetylhistamineME44834069602C051352287-
N-acetylhistidineN-AcetylhistidineME44834175619C029972065-
N-acetylisoleucineN-AcetylisoleucineME4483422802421-2325-
N-acetylleucineN-AcetylleucineME44834370912C027102400-
N-acetylmethionineN-AcetylmethionineME448344448580C027121787-
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME448345193368-880-
N-acetylmuramateN-Acetylmuramic acidME4483465462244C02713860-
N-acetylneuraminateN-Acetylneuraminic acidME448347439197C00270660-
N-acetylphenylalanineN-AcetylphenylalanineME44834874839C035192597-
N-acetylprolineN-Acetyl-prolineME448349322640-1695-
N-acetylputrescineN-AcetylputrescineME448350122356C027142230-
N-acetylpyrralineDehydroepiandrosteroneME448351--2545-
N-acetylserotoninN-AcetylserotoninME448352903C009781975-
N-acetylsphingosineCer 18:1;O2/2:0ME4483535497136C001956000-
N-acetyltaurineN-AcetyltaurineME448354159864-800-
N-acetylthreonineN-AcetylthreonineME448355152204-821.6-
N-acetyltryptophanN-Acetyl-tryptophanME448356700653C031372630-
N-acetyltyrosineN-AcetyltyrosineME44835768310-1680-
N-acetylvalineN-AcetylvalineME44835866789-1704-
N-alpha-acetylornithineN-AcetylornithineME448359439232C004372000-
naringeninNaringeninME448360932C005093437-
narirutinNarirutinME448361442431C097933700-
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME448362--3911-
N-carbamoylalanineN-CarbamoylalanineME448363426409-950-
N-carbamoylaspartateN-Carbamoylaspartic acidME44836493072C004383800-
N-carbamoylglutamateCarglumic acidME448365121396C05829865-
N-carbamoylsarcosineN-CarbamoylsarcosineME448366439375C01043920-
N-delta-acetylornithineN(5)-Acetyl-ornithineME4483679920500-1877-
neoponcirin-ME448368--4385.6-
nervonate (24:1n9)*Nervonic acidME4483695281120C083236804-
nervonoylcarnitine (C24:1)*CAR 24:1ME448370--1602-
N-formylanthranilic acidFormylanthranilic acidME448371101399C056532150-
N-formylmethionineN-FormylmethionineME448372439750C031451543.8-
N-formylphenylalanineN-FormylphenylalanineME448373759256-2360-
N-glycolylneuraminateN-Glycoloylneuraminic acidME448374123802C03410636-
nicotianamine(R,S,S)-NicotianamineME4483759882882C053241800-
nicotinamideNiacinamideME448376936C001531942-
nicotinamide ribosideNicotinamide ribosideME448377439924C031502040-
nicotinateNicotinic acidME448378938C002531673-
nicotinate ribonucleosideD-RibosylnicotinateME448379161234C058411536-
nicotinic acid mononucleotide (NaMN)Nicotinic acid mononucleotideME4483805288991C01185648-
N-methylalanineN-MethylalanineME4483815288725C027211536-
N-methyl-GABA4-(Methylamino)butyric acidME44838270703C159872109-
N-methylglutamateN-Methyl-glutamic acidME448383439377C010461300-
N-methylhydantoinN-MethylhydantoinME44838469217C025651425-
N-methylleucine-ME4483852777993-2787-
N-methylphenylalanine-ME4483864657542-2790-
N-methylpipecolateN-methyl pipecolic acidME44838711286529-1932-
N-methylprolineN-Methyl-prolineME448388557-1335-
N-methyltaurineN-MethyltaurineME4483897882-1650-
N-methyltryptophan-ME448390914C029832910-
N-monomethylarginineTarginineME448391132862C038842845-
nonadecanoate (19:0)Nonadecylic acidME44839212591C165356068-
norvalineNorvalineME448393824C018262582-
N-palmitoylglycineN-Palmitoyl glycineME448394151008-5580-
N-palmitoylserineN-Palmitoyl serineME4483956453686-5557-
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME4483965283572-3090-
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME4483975283564-2893-
N-palmitoyltaurineN-Palmitoyl taurineME448398--5560-
N-propionylalanine-ME448399321155-1335-
N-propionylmethionineN-propionylmethionineME448400103692-2290-
N-stearoyl-sphinganine (d18:0/18:0)*Cer 18:0;O2/18:0ME4484015283573-3526-
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME4484025283565-3392-
N-stearoyltaurineN-Stearoyl taurineME448403168274-5782-
N-trimethyl 5-aminovalerate-ME448404--2186-
O-acetylhomoserineO-Acetyl-homoserineME448405439389C010771850-
OAHSA (18:1/OH-18:0)-ME448406--3384-
octadecanedioate (C18-DC)Octadecanedioic acidME44840770095-5043-
o-hydroxyatorvastatin-ME4484089808225-5015-
oleanolateOleanolic acidME44840910494C171485563-
oleate/vaccenate (18:1)Oleic acidME448410--5655-
oleoylcarnitine (C18:1)CAR 18:1ME4484126441392-1423-
oleoylcholineOleoylcholineME448413--1449-
oleoyl ethanolamideOleoyl-EAME4484115283454-1661-
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*DG 18:1_18:3ME448414--2819-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME448415--3115-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME448416--3223-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*DG 18:1_18:1ME448417--3571-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*DG 18:1_18:1ME448418--3695-
ornithineOrnithineME4484196262C000772800-
orotateOrotic acidME448420967C002951638.1-
orotidineOrotidineME44842192751-2250-
O-sulfo-L-tyrosineSulfotyrosineME448422514186-990-
oxalate (ethanedioate)Oxalic acidME448423971C00209603-
PAHSA (16:0/OH-18:0)-ME448424--3411-
palmitate (16:0)Palmitic acidME448425985C002495618-
palmitoleate (16:1n7)Palmitoleic acidME448426445638C083625475-
palmitoleoylcarnitine (C16:1)*CAR 16:1ME44842771464547-1357-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME448428--2664-
palmitoylcarnitine (C16)CAR 16:0ME448432461C029901425-
palmitoylcholinePalmitoylcholineME448433151731-1482-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME4484299939965-2290-
palmitoyl ethanolamidePalmitoyl-EAME4484304671C165121643-
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*DG 16:0_18:3ME448434--2834-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*DG 16:0_18:2ME4484359543695-3080-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME448436--3197-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*DG 16:0_18:1ME448437-C138613695-
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME4484319939941-2168-
pantetheinePantetheineME448438439322C008312056-
pantothenatePantothenic acidME4484396613C008641667-
paraxanthineParaxanthineME4484404687C137471810-
p-cresolP-CresolME4484412879C014684154-
p-cresol sulfatep-Cresol sulfateME4484424615423-2890-
phenethylaminePhenylethylamineME4484431001C053323065-
phenol sulfatePhenyl hydrogen sulfateME44844474426C021802156-
phenylacetatePhenyl acetateME448445999C070862150-
phenylacetylglutamateN-Phenylacetylglutamic acidME44844611579826-2390-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME44844792258C041482330-
phenylacetylglycinePhenylacetylglycineME44844868144C055982375-
phenylalaninePhenylalanineME4484496140C000792878-
phenylalanylalaninePhe-AlaME4484505488196-2909-
phenylalanylglycinePhe-GlyME44845198207-2898-
phenyllactate (PLA)Phenyllactic acidME4484523848C056072208-
phenylpyruvatePhenylpyruvic acidME448453997C001662515-
pheophorbide APheophorbide aME4484545323510C180211562-
phosphatePhosphoric acidME4484551061C00009576-
p-hydroxyatorvastatin-ME4484579851106-4650-
p-hydroxyatorvastatin lactone-ME448458--990-
phytanatePhytanic acidME44845926840C016075908-
phytosphingosinePhytosphingosineME448460122121C121441367-
picolinatePicolinic acidME4484611018C10164910-
pimelate (C7-DC)Pimelic acidME448462385C026562745-
pipecolatePipecolic acidME448463849C004082200-
piperidinePiperidineME4484648082C017462500-
piperinePiperineME448465638024C038821168-
ponciretin-ME4484665118250-4365-
pregnanolone/allopregnanolone sulfate3alpha-Hydroxy-5beta-pregnane-20-oneME448468--5160-
pregnen-diol disulfate C21H34O8S2*-ME448469--3868-
pregnenolone sulfatePregnenolone sulfateME448470105074-5100-
pregn steroid monosulfate C21H34O5S*-ME448467--5000-
pristanatePristanic acidME448471123929-5773-
pro-hydroxy-proPro-hydroxyProME44847411673055-2128-
prolineProlineME448472145742C001481603-
prolylglycinePro-GlyME4484736426709-2136-
propionylglycinePropionylglycineME44847598681-960-
protoporphyrin IXProtoporphyrinME4484764971C021911417-
pseudoephedrinePseudoephedrineME4484777028C027653041-
pseudouridinePseudouridineME44847815047C02067800-
pterinPterinME44847973000C007151805-
putrescinePutrescineME4484801045C001343027-
pyridoxalPyridoxalME4484811050C002502343-
pyridoxaminePyridoxamineME4484821052C005342975-
pyridoxate4-Pyridoxic acidME4484836723C008472185-
pyridoxine (Vitamin B6)PyridoxineME4484841054C003142442-
pyroglutamine*PyroglutamineME448485134508-1900-
pyrralinePyrralineME448486122228-2304-
pyruvatePyruvic acidME4484871060C000222650-
quinateQuinic acidME4484886508C002962432.9-
quinineQuinineME4484892728270-3378-
quinolinateQuinolinic acidME4484901066C03722845-
ranitidineRanitidineME4484913001055D004222910-
rhoifolin-ME4484925282150C126273725-
ribitolRibitolME4484936912C004741789.6-
riboflavin (Vitamin B2)RiboflavinME448494493570C002552292-
ribonateRibonic acidME4484955460677C016852425-
riboseRiboseME4484965779C001211508.2-
ribulose/xyluloseXyluloseME4484975289590-1400-
rosmarinateRosmarinic acidME4484985281792C018502785-
(R)-salsolinol(R)-SalsolinolME44773154456C096422525-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME4484991196C043221528-
saccharinSaccharinME4485005143D010852000-
saccharopineSaccharopineME448501160556C00449640-
salicylateSalicylic acidME448502338C00805802-
S-allylcysteineS-AllylcysteineME44850398280-2690-
sarcosineSarcosineME4485041088C002131280-
S-carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME4485051080C037271490-
sebacate (C10-DC)Sebacic acidME4485065192C082771788-
secoisolariciresinolSecoisolariciresinolME44850765373C181673945-
secoisolariciresinol diglucoside-ME4485089917980-3380-
sedoheptuloseGlucoheptuloseME4485095459879-681-
serineSerineME4485105951C000651239-
serotoninSerotoninME4485115202C007802550-
sertralineSertralineME44851268617C072461070-
silibininSilibininME44851331553D085153655-
sitostanolDihydro-sitosterolME44851415559396C196443300-
skatol3-MethylindoleME4485156736C083134875-
S-methylcysteineMethylcysteineME44851624417-1955-
S-methylmethionineS-MethylmethionineME448517458C053192555-
solanidineSolanidineME44851865727C065431010-
spermidineSpermidineME4485191102C003153355-
sphingadienineSphingadienineME4485206449795-1350-
sphinganineSphinganineME4485213126C008361413-
sphingosineSphingosineME4485225353955C003191393-
stachydrineStachydrineME448523115244C101721440-
stearate (18:0)Stearic acidME4485245281C015305872-
stearidonate (18:4n3)Stearidonic acidME4485255312508C163005395-
stearoylcarnitine (C18)CAR 18:0ME4485276426855-1485-
stearoyl ethanolamideStearoyl-EAME44852627902-1787-
steviolSteviolME448528452967C202125327-
stigmasterolStigmasterolME4485295280794C054422875-
suberate (C8-DC)Suberic acidME44853010457C08278804.3-
succinateSuccinic acidME4485311110C000423149-
succinimideSuccinimideME44853211439C072732155-
succinylcarnitine (C4-DC)CAR DC4:0ME44853371464481-2291-
sucraloseSucraloseME44853471485C122853140-
sucroseSucroseME4485355988C000893092-
sulfate*SulfateME4485361118C00059616-
syringic acidSyringic acidME44853710742C108331450-
tartarateTartaric acidME448538444305C00898615.3-
taurineTaurineME4485391123C00245660-
taurochenodeoxycholateTaurochenodeoxycholic acidME448540387316C054655250-
taurocholateTaurocholic acidME4485416675C051225150-
taurocholenate sulfateTaurocholenate sulfateME448542--4750-
taurodeoxycholateTaurodeoxycholic acidME4485432733768C054635257.4-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME448544440071C036425027-
tauroursodeoxycholateTauroursodeoxycholic acidME4485459848818-5025-
tetrahydrocortisoneTetrahydrocortisoneME4485465866C054705121-
theanineN(5)-Ethyl-glutamineME448547439378C010472180-
theobromineTheobromineME4485485429C074801600-
theophyllineTheophyllineME4485492153C071301870-
thiamin (Vitamin B1)ThiamineME4485501130C003783050-
thioprolineThioprolineME44855193176-1250-
threonateThreonic acidME448552151152C016202384-
threonineThreonineME4485536288C001881514-
threonylphenylalanineThr-PheME4485544099799-2322-
thymidineThymidineME4485555789C002141963.7-
thymidine 5'-monophosphateTMPME4485589700C00364883-
thymineThymineME4485561135C001781654-
tiglylcarnitine (C5:1-DC)CAR DC5:1ME44855722833596-2962-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME4482165810C011571064-
trans-nonadecenoate (tr 19:1)*-ME448559--5824-
trans-urocanateUrocanic acidME448560736715C007852285-
trazadoneTrazodoneME4485615533C07156,D086263498-
tribuloside-ME4485625320686C171403933-
tricarballylate1,2,3-Propanetricarboxylic acidME44856314925C19806578-
tridecanedioate (C13-DC)Tridecanedioic acidME44856410458-3530-
trigonelline (N'-methylnicotinate)TrigonellineME4485655570C010041388-
trimethylamine N-oxideTrimethylamine N-oxideME4485661145C011042100-
tryptamineTryptamineME4485671150C003983062-
tryptophanTryptophanME4485686305C000782986-
tryptophan betaineLenticinME448569442106C092132673-
tryptophylglycineTrp-GlyME448570263471-2930-
tyramineTyramineME4485715610C004832540-
tyramine O-sulfateTyramine-O-sulfateME448572153005-1565-
tyrosineTyrosineME4485736057C000822430-
tyrosolTyrosolME44857410393C060442716-
tyrosylglycineTyr-GlyME448575259323-1635-
undecanedioate (C11-DC)Undecanedioic acidME44857615816-2440-
uracilUracilME4485771174C001061086-
urateUric acidME4485781175C00366757.1-
uridineUridineME4485796029C002991457.6-
uridine-2',3'-cyclic monophosphate2',3' cyclic UMPME448580439715C023551090-
ursocholateUrsocholic acidME448581--4648-
ursodeoxycholateUrsodeoxycholic acidME44858231401C078805055-
ursodeoxycholate sulfate (1)-ME448583--4328-
ursodeoxycholate sulfate (2)-ME448584--4538-
valerate (5:0)Valeric acidME4485857991C008031718-
valerylglycineValerylglycineME4485864737557-2071-
valerylphenylalanine-ME44858713890536-4176-
valineValineME4485886287C001832479-
valine betaine-ME448589--1370-
valsartanValsartanME4485905650-1092-
valylglutamineVal-GlnME4485915253209-2295-
valylglycineVal-GlyME448592136487-1506-
valylleucineVal-LeuME448593352039-3138-
vanillactateVanillactic acidME448594160637-1625-
vanillateVanillic acidME4485958468C066721100-
vanillinVanillinME4485961183C007552311.9-
xanthineXanthineME4485971188C003851032-
xanthosineXanthosineME44859864959C017621075-
xanthurenateXanthurenic acidME4485995699C024701476-
xyloseXyloseME448600135191C001811727-


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