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Analysis: None (Direct infusion) UNSPECIFIED 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 acidME4665665312435-5555-
10-hydroxystearateRosilic acidME4665679561835-5370-
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME4665685312513-5780-
1,11-undecanedicarboxylateTridecanedioic acidME46655410458-3530-
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME466551--1566-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME466552--1558-
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME466553--1649-
11-ketoetiocholanolone sulfate-ME466569--4420-
12,13-DiHOME12,13-DiHOMEME46657010236635C148295137-
1,2,3-benzenetriol sulfate (1)-ME466555--1453-
1,2,3-benzenetriol sulfate (2)-ME466556--1709-
12-dehydrocholate12-Ketochenodeoxycholic acidME46657194235-4871-
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)-ME466557--1941-
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*MGDG 18:3/0:0/18:3ME4665585282287C138712046-
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*-ME466559--2256-
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*-ME4665606535011-2415-
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME4665615288075-2006-
1,3,7-trimethylurate1,3,7-Trimethyluric acidME46656279437C163611985-
1,3-dimethylurate1,3-Dimethyluric acidME46656370346-1671.4-
13-HODE + 9-HODEHODEME46657243013-5275-
13-methylmyristateIsopentadecylic acidME466573151014-5499-
1,3-propanediolPropane-1,3-diolME46656410442C02457832-
(15:2)-anacardic acidAnacardic acidME46655011824131-5565-
15-methylpalmitate15-Methyl palmitic acidME46704017903417-5695-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME466574--4240-
17alpha-hydroxypregnenolone 3-sulfate17-Hydroxypregnenolone sulfateME466575152971-4800-
1,7-dimethylurate1,7-Dimethyluric acidME46656591611C163561578.6-
17-methylstearateXi-17-Methyloctadecanoic acidME4665763083779-5993-
1-arachidonoyl-GPC (20:4n6)*LPC 20:4/0:0ME466577-C052081460-
1-dihomo-linoleoylglycerol (20:2)MG 20:2ME466578--6800-
1-linolenoyl-2-hexadecatrienoyl-galactosylglycerol...-ME466579--1911-
1-linolenoylglycerol (18:3)MG 18:3ME46658053480978-6214-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*PC 18:2/20:4ME466581--1969-
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:...DGDG 18:2_18:3ME466582--2073-
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/...MGDG 18:2_18:3ME466583--2209-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME466584--1939-
1-linoleoylglycerol (18:2)MG 18:2ME4665855283469-6477-
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME46658611988421C041006160-
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME46658752925130-1482-
1-margaroylglycerol (17:0)MG 17:0ME466588107036-6571-
1-methyladenine1-MethyladenineME46658978821C022162133-
1-methyl-beta-carboline-3-carboxylic acid-ME4665905406157-3190-
1-methylguanidineMethylguanidineME46659110111C022942149-
1-methylhistamine1-MethylhistamineME4665923614C051273040-
1-methylhistidine1-MethylhistidineME46659392105C011522755-
1-methylimidazoleacetateMethylimidazoleacetic acidME46659475810C058282064-
1-methylnicotinamide1-Methyl nicotinamideME46659510129985C029181940-
1-methylurate1-Methyluric acidME46659669726C163591099-
1-methylxanthine1-MethylxanthineME46659780220C163581500-
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME4665985283468-6650-
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME46659916081932-1540-
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME4666009547071-1554-
1-oleoyl-GPG (18:1)*LPG 18:1ME466601--5610-
1-palmitoleoylglycerol (16:1)*MG 16:1ME466602--6094-
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:...DGDG 16:0_18:3ME466603--2278-
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0...DGDG 16:0_18:2ME466604--2498-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME466605--2653-
1-palmitoylglycerol (16:0)MG 16:0/0:0/0:0ME46660614900-6550-
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME46660786554-1525-
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME4666089547069-1544-
1-palmitoyl-GPG (16:0)*LPG 16:0ME4666093300276-5570-
1-palmitoyl-GPI (16:0)LPI 16:0ME466610--5564-
1-palmitoyl-GPS (16:0)*LPS 16:0ME4666119547100-1551-
1-pentadecanoylglycerol (15:0)MG 15:0ME466612190750-6200-
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME466613497299-1606-
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME4666149547068-1626-
1-stearoyl-GPG (18:0)LPG 18:0ME466615--5816-
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME466616--5794.3-
1-stearoyl-GPS (18:0)*LPS 18:0ME4666179547101-5800-
20-hydroxyecdysone20-HydroxyecdysoneME4666245459840C026334021-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME466625134595C054853935-
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME466618301941-1318-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME466619677C040391050-
2,3-dimethylsuccinate-ME46662011848-2800-
2,4,6-trihydroxybenzoate2,4,6-Trihydroxybenzoic acidME46662166520-1574-
2,4-dihydroxyhydrocinnamate-ME46662296384-1759-
2,8-quinolinediolQuinoline-2,8-diolME46662397250C063423133-
2-acetamidobutanoate-ME466626306107-1340-
2-aminoadipatealpha-Aminoadipic acidME466627469C00956639.2-
2-aminobutyrate2-Aminobutyric acidME466628439691C022612059-
2-aminoheptanoate2-Aminoheptanoic acidME466629227939-3160-
2-aminophenol2-AminophenolME4666305801C019872644-
2-aminophenol sulfate2-Aminophenyl sulfateME466631181670-1677-
2'-deoxyadenosineDeoxyadenosineME46663213730C005592252-
2'-deoxycytidineDeoxycytidineME46663313711C008812193-
2'-deoxyguanosineDeoxyguanosineME466634187790C003301750-
2'-deoxyinosineDeoxyinosineME46663565058C055121250-
2-deoxyribose2-Deoxy-riboseME46663622833604C018011216-
2'-deoxyuridineDeoxyuridineME46663713712C005261586-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME466638164623-1800-
2-hydroxyadipate2-Hydroxyadipic acidME466639193530C023603000-
2-hydroxybutyrate/2-hydroxyisobutyrate-ME466640--1258-
2-hydroxydecanoate2-Hydroxy capric acidME46664121488-4840-
2-hydroxyglutarate2-Hydroxyglutaric acidME46664243C026303352.8-
2-hydroxyhippurate (salicylurate)Salicyluric acidME46664310253C075882184-
2-hydroxylaurate2-Hydroxylauric acidME46664497783-5211-
2-hydroxymyristate2-Hydroxymyristic acidME4666451563C137905364-
2-hydroxypalmitate2-Hydroxy palmitic acidME46664692836-5511.2-
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME46664711970C05852858.6-
2-hydroxystearate2-Hydroxystearic acidME46664869417C030455695-
2-isopropylmalate2-Isopropylmalic acidME46664977C025042605-
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME466650161227-1900-
2-linoleoylglycerol (18:2)MG 18:2ME4666515365676-6250-
2-methylcitrate/homocitrateHomocitric acidME466652--575-
2-methylmalonylcarnitine (C4-DC)CAR DC3:0;2MeME46665353481628-2440-
2-methylserine2-MethylserineME46665494309-1652-
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME4666555319879-6500-
2-oxindole-3-acetate2-Oxindole-3-acetateME4666563080590-2378-
2-oxoarginine*2-OxoarginineME466657558C037711760-
2-palmitoylglycerol (16:0)MG 0:0/16:0/0:0ME466658123409-6400-
2-piperidinone2-PiperidinoneME46665912665-1675-
3-(2-hydroxyphenyl)propionate3-(2-Hydroxyphenyl)propanoic acidME466660873C011982530-
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME46666191C114571980-
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME466662187488-1294-
3,4-dihydroxybenzoateProtocatechuic acidME46666572C00230729-
3,4-dihydroxyphenylacetate3,4-Dihydroxybenzeneacetic acidME466666547C011611040-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME4666639378C036721390.6-
3-(4-hydroxyphenyl)propionateDesaminotyrosineME46666410394C017441670-
3,7-dimethylurate3,7-Dimethyluric acidME46666783126C163601418.2-
3-aminoisobutyrate3-Aminoisobutanoic acidME46666864956C051452215-
3beta-hydroxy-5-cholestenoateCholestenoic acidME466669--5398-
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME46667092997-5205-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME466671123979-2840-
3-carboxyadipate-ME466672222467-571-
3-dehydrocholate3-Dehydrocholic acidME466673159655-5050-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME466674188979-975-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME4666751662C037612700-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME466676441C010891443.3-
3-hydroxydecanoate3-Hydroxydecanoic acidME46667726612-4634.7-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME466678151492-1725-
3-hydroxyhippurate3-Hydroxyhippuric acidME466679450268-1687-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME46668087C060011619-
3-hydroxylaurate3-Hydroxydodecanoic acidME46668194216-5175-
3-hydroxymyristate3-Hydroxytetradecanoic acidME46668216064-5335-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME46668326613-3446-
3-hydroxypalmitate3-Hydroxyhexadecanoic acidME466684301590-5476-
3-hydroxyphenylacetate3-Hydroxyphenylacetic acidME46668512122C055931220-
3-hydroxyphenylacetate sulfate-ME466686--969-
3-hydroxysebacate3-Hydroxysebacic acidME4666873017884-1282-
3-hydroxystearate3-Hydroxy stearic acidME4666885282907-5674-
3-hydroxysuberate3-Hydroxysuberic acidME46668922328017-644-
3-indoxyl sulfateIndoxyl sulfateME46669010258-2222.2-
3-ketosphinganine3-KetosphinganineME466691631C029341400-
3-methyl-2-oxobutyrateKetoisovaleric acidME46669249C00141911-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME46669347C006712064.2-
3-methyladipate3-Methyladipic acidME46669412292-2865-
3-methylglutaconate3E-Methylglutaconic acidME4666951551553-2579.6-
3-methylglutarate/2-methylglutarateMethylglutaric acidME466696--2832-
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME466697128145-2675-
3-methylhistidine3-MethylhistidineME46669864969C011522670-
3-methylxanthine3-MethylxanthineME46669970639C163571415-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME466700107C056292860-
3-sulfo-L-alanineCysteic acidME46670172886C00506570-
3-ureidopropionateUreidopropionic acidME466702111C02642875-
4-acetamidobutanoate4-Acetamidobutanoic acidME46670318189C029461350-
4-cholesten-3-oneCholestenoneME46670491477C005992520-
4-guanidinobutanoate4-Guanidinobutanoic acidME466705500C010352320-
4-hydroxybenzoate4-Hydroxybenzoic acidME466706135C00156820-
4-hydroxycinnamatecis-p-Coumaric acidME466707637542C008111457-
4-hydroxycyclohexylcarboxylic acid4-Hydroxycyclohexylcarboxylic acidME466708151138C044042005-
4-hydroxyhippurate4-Hydroxyhippuric acidME466709151012-1475-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME466710127C006421361.1-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME466711979C011791690.1-
4-imidazoleacetateImidazoleacetic acidME46671296215C028352055-
4-methyl-2-oxopentanoateKetoleucineME46671370C002332170-
4-methylcatechol sulfate-ME466714--2665-
4-methylthio-2-oxobutanoate2-Oxo-4-methylthiobutanoic acidME466715473C011801635-
4-ureidobutyrate-ME4667161571307-2217.5-
5-(2-Hydroxyethyl)-4-methylthiazole5-(2-Hydroxyethyl)-4-methylthiazoleME4667171136C042942310-
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME46671888299C163661710-
5alpha-androstan-3alpha,17alpha-diol disulfate-ME466719--4547-
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME466720--4275-
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME466721--4925-
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME466722--4215-
5alpha-androstan-3beta,17alpha-diol monosulfate (1...-ME466723--4806-
5alpha-androstan-3beta,17beta-diol disulfate5alpha-Androstane-3beta,17beta-diolME466724242332C125253880-
5alpha-androstan-3beta,17beta-diol monosulfate (1)-ME466725--4635-
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME466726--4685-
5alpha-pregnan-3(alpha or beta),20beta-diol disulf...-ME4667275127902-4310-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME466728--3962-
5alpha-pregnan-3beta,20alpha-diol monosulfate (1)-ME466729--4928-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME466730--5060-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME466731--5180-
5-aminovalerate5-Aminopentanoic acidME466732138C004312220-
5-dodecenoate (12:1n7)5-Dodecenoic acidME4667335312378-5224-
5-hydroxy-2-indolecarboxylic acid-ME46673488958-1270-
5-hydroxyhexanoate5-Hydroxycaproic acidME466735170748-1267-
5-hydroxylysine5-HydroxylysineME4667361029C167412790-
5-methyluridine (ribothymidine)RibothymidineME466737445408-1778.1-
5-oxoprolinePyroglutamic acidME4667387405C01879738.5-
6-hydroxynicotinate6-Hydroxynicotinic acidME46673972924C010202000-
6-oxolithocholate6-Ketolithocholic acidME466740164960-5033-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME4667413014237-964.5-
7,12-diketolithocholate7,12-Diketolithocholic acidME4667423080560-4215-
7-ketodeoxycholate7-Ketodeoxycholic acidME466743188292-4821-
7-ketolithocholate7-Ketolithocholic acidME466744444262-5082-
7-methylguanine7-MethylguanineME46674511361C022422175-
7-methylurate7-Methyluric acidME46674669160-1138-
8-hydroxyguanine8-HydroxyguanineME46674765154C20155951-
8-hydroxyoctanoate8-Hydroxyoctanoic acidME46674869820-2300.4-
9,10-DiHOME9,10-DiHOMEME4667499966640C148285180-
acesulfameAcesulfameME466750--1581-
acetylcarnitine (C2)CAR 2:0ME4667511C025712282-
acisogaAcisogaME466752129397-1813-
aconitate [cis or trans]cis-Aconitic acidME466753-C00417580-
adenineAdenineME466754190C001472221-
adenosineAdenosineME46675560961C002122169-
adenosine 5'-monophosphate (AMP)AMPME4667706083C000201013-
adipateAdipic acidME466756196C061043000-
adrenate (22:4n6)Adrenic acidME4667575497181C165275678-
agmatineAgmatineME466758199C001793057-
alanineAlanineME4667595950C000411700-
alanylleucineAla-LeuME466760259583-3055-
allantoinAllantoinME466761204C023501672-
allo-threonineAllothreonineME46676299289C055192511.1-
alpha-CEHC sulfate-ME466763--3090-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME46676483697C032641840-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME46676599823-1052-
alpha-ketoglutarateOxoglutaric acidME46676651C000262700-
alpha-tocopherolalpha-TocopherolME46676714985C024772522-
alpha-tocopherol acetateTocopherol acetateME4667682117C132022702-
alpha-tocotrienolalpha-TocotrienolME4667695282347C141531986-
androstenediol (3alpha, 17alpha) monsulfate (2)-ME466771--4712-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME46677210634C042953740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME46677310634C042954065-
androstenediol (3beta,17beta) monosulfate (1)AndrostenediolME466774--4500-
androstenediol (3beta,17beta) monosulfate (2)AndrostenediolME466775--4500-
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME466776159663-5022-
anserineAnserineME466777112072C012622924-
apigeninApigeninME4667785280443C014773845.4-
arabinoseArabinoseME46677966308C002161804.5-
arabitol/xylitolArabitolME466780--1932.4-
arabonate/xylonateXylonic acidME466781--2664.6-
arachidate (20:0)Arachidic acidME46678210467C064256295-
arachidonate (20:4n6)Arachidonic acidME466783444899C002195535-
arachidoylcarnitine (C20)*CAR 20:0ME466784--1512-
argininate*Argininic acidME466785160437-2150-
arginineArginineME466786232C000622825-
asparagineAsparagineME4667876267C001521225-
aspartateAspartic acidME4667885960C000491165-
azelate (nonanedioate)Azelaic acidME4667892266C082611276-
behenoylcarnitine (C22)*CAR 22:0ME466792--1561-
behenoyl ethanolamide (22:0)*Behenoyl-EAME4667903023585-2164-
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME466791--3083-
benzoateBenzoic acidME466793243C001801750-
beta-alaninebeta-AlanineME466794239C000991905-
beta-guanidinopropanoate3-Guanidinopropanoic acidME46679567701C030652145-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME46679669362-1149.8-
betaineBetaineME466797247C007191064-
beta-sitosterolSitosterolME466798222284C017533054-
bilirubin (E,E)*BilirubinME4668005315454-1045-
bilirubin (E,Z or Z,E)*BilirubinME4668015799469-1270-
bilirubin (Z,Z)BilirubinME4667995280352C004861840-
biliverdinBiliverdinME4668025353439C005001016-
biotinBiotinME466803171548C001202253-
butyrylglycineN-ButyrylglycineME46680488412-1470-
cadaverineCadaverineME466805273C016723036-
caffeateCaffeic acidME466806689043C011971165-
caffeic acid sulfate-ME466807--870-
caffeineCaffeineME4668082519C074812106-
campesterolCampesterolME466809173183C017892873-
caprate (10:0)Capric acidME4668102969C015715090.7-
caproate (6:0)Caproic acidME4668118892C015852713.7-
caprylate (8:0)Caprylic acidME466812379C064234362-
carboxyethyl-GABAN-Carboxyethyl-g-aminobutyric acidME4668132572-2085-
carboxyibuprofenCarboxyibuprofenME46681410444113-1920-
carnitineCarnitineME46681510917C003181978-
carnosineCarnosineME466816439224C003862942-
catechol sulfateCatechol sulfateME4668173083879C000901906-
ceramide (d16:1/24:1, d18:1/22:1)*Cer 40:2;O2ME466818--3850-
ceramide (d18:1/14:0, d16:1/16:0)*Cer 32:1;O2ME466819--2477-
ceramide (d18:1/17:0, d17:1/18:0)*Cer 35:1;O2ME466820--3055-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*Cer 38:1;O2ME466821--3920-
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME466822--3858-
cerotoylcarnitine (C26)*CAR 26:0ME466823--1649-
C-glycosyltryptophanC-GlycosyltryptophanME46682410981970-2866-
chenodeoxycholateChenodeoxycholic acidME46682510133C025285264-
chiro-inositol1D-chiro-InositolME466826-C198913191.2-
cholateCholic acidME466827221493C006955165-
cholate sulfate-ME466828--4557-
cholesterolCholesterolME46682911025495C001872707-
cholineCholineME466830305C001141961-
choline phosphateCholine phosphateME4671851014C00588700-
cinnamateCinnamic acidME466831444539C004232878-
citrateCitric acidME466832311C00158582-
citrullineCitrullineME4668339750C003271520-
coprostanolCoprostanolME466834--2850-
cortoloneCortoloneME466835160499C054815059-
creatineCreatineME466836586C003001947-
creatinineCreatinineME466837588C007912055-
cryptochlorogenic acid-ME4668385315599-2087-
cysteineCysteineME4668395862C000971488-
cysteine s-sulfateCysteine-S-sulfateME466840115015C058242273-
cysteine sulfinic acid3-Sulfino-alanineME466841109C00606597-
cysteinylglycineCys-GlyME466842439498C014192132-
cystineCystineME46684367678C004912000-
cytidineCytidineME4668446175C004752124-
cytidine 2',3'-cyclic monophosphate2',3' cyclic CMPME466845417654C02354769-
cytosineCytosineME466846597C003802060-
daidzeinDaidzeinME4668475281708C102083566-
dehydroisoandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME46684812594C045554745-
dehydrolithocholateDehydrolithocholic acidME466849159623-5360-
delta-tocopheroldelta-TocopherolME46685092094C141512259-
deoxycarnitine3-DehydroxycarnitineME466851134C011812052-
deoxycholateDeoxycholic acidME466852222528C044835294-
deoxycholic acid sulfate-ME466853--4880-
diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [...DG 30:1ME466854--2716-
diacylglycerol (14:0/18:1, 16:0/16:1) [1]*DG 32:1ME466855--3057-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*DG 34:3ME466856--2733-
diaminopimelate2,6-Diaminopimelic acidME466857439283C006662569-
digalacturonic acidDigalacturonic acidME4668586857565C02273603.5-
diglycerolDiglycerolME46685942953-818-
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME4668606439848C165255730-
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME4668615280581C032425596-
dihydrocaffeate3,4-Dihydroxyhydrocinnamic acidME466862348154C104471430-
dihydroferulic acid3-(4-Hydroxy-3-methoxyphenyl)propionic acidME46686314340-1928-
dihydroorotate4,5-Dihydroorotic acidME466864648C003371910-
dimethylarginine (SDMA + ADMA)DimethylarginineME466865123831C036262850-
dimethylglycineDimethylglycineME466866673C010261104-
dimethylmalonic acidDimethylmalonic acidME46686711686-2702-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME4668685282807C165336034-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME466869445580C064295525-
docosapentaenoate (n3 DPA; 22:5n3)DPAME4668706441454C165135571-
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME4668716441454C165135624.5-
dodecanedioateDodecanedioic acidME46687212736C026782990-
D-urobilinD-UrobilinME4668736276321C05795935-
ectoineEctoineME466874126041C062311980-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME466875446284C064285450-
eicosenoate (20:1)cis-Gondoic acidME4668765282768-5950-
eicosenoylcarnitine (C20:1)*CAR 20:1ME466877--1484-
enterodiolEnterodiolME466878123725-4327-
enterolactoneEnterolactoneME46687910685477-4515-
epiandrosterone sulfateEpiandrosteroneME466880-C076354855-
ergosterolErgosterolME466881444679C016942420-
erucate (22:1n9)cis-Erucic acidME4668825281116C083166355.6-
erythritolErythritolME466883222285C005031491-
erythronate*Erythronic acidME4668842781043-2186-
erythroseErythroseME46688594176C01796780-
ethylmalonateEthylmalonic acidME46688611756-2785-
ferulatetrans-Ferulic acidME466887445858C014941755-
flavin mononucleotide (FMN)FMNME466888710C000612390-
formiminoglutamateFormiminoglutamic acidME466889439233C004391880-
fructoseFructoseME4668905984C000952022.2-
fucitolFucitolME4668913429-816.1-
fucoseFucoseME46689219466C01018750-
fumarateFumaric acidME466893444972C001223084-
gabapentinGabapentinME466894-D003322407.4-
galactitol (dulcitol)GalactitolME46689511850C016972309.7-
galactonateGalactonic acidME466896128869C008803085-
galactosylglycerol*GalactosylglycerolME46689716048618-2518-
galacturonateGalacturonic acidME46689884740C083483527.2-
gamma-aminobutyrate (GABA)gamma-Aminobutyric acidME466899119C003342048-
gamma-CEHCgamma-CEHCME466900133098-3843-
gamma-glutamylalaninegamma-GlutamylalanineME466901440103-1986-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME46690265254-2784-
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME466903--2717-
gamma-glutamylglutamategamma-Glutamylglutamic acidME46690492865C052821775-
gamma-glutamylglutaminegamma-GlutamylglutamineME466905150914C052831430-
gamma-glutamylglycinegamma-GlutamylglycineME466906165527-1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME4669077017195-2740-
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME46690814253342-2940-
gamma-glutamylleucinegamma-GlutamylleucineME466909151023-2991-
gamma-glutamylmethioninegamma-GlutamylmethionineME4669107009567-2640-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME466911111299-1825-
gamma-glutamylthreoninegamma-GlutamylthreonineME466912--1750-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME46691394340-1240-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME466914--2384-
gamma-tocotrienolgamma-TocotrienolME4669155282349C141551918-
genisteinGenisteinME4669165280961C065633754-
gentisateGentisic acidME4669173469C00628905-
gluconateGluconic acidME46691810690C002572922-
glucoseGlucoseME46691979025C000312342-
glucuronateGlucuronic acidME466920444791C001913233.3-
glutamateGlutamic acidME466921611C000251500-
glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME46692268662-2170-
glutamineGlutamineME4669235961C000641291-
glutaminylleucineGln-LeuME466924--3009-
glutamyl-meso-diaminopimelate-ME466925--2555-
glutarate (pentanedioate)Glutaric acidME466926743C004892900-
glycerateGlyceric acidME466927752C002582070.4-
glycerolGlycerolME466928753C00116758-
glycerol 3-phosphatesn-Glycero-3-phosphateME466929754C00093580-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME466930123874C01233659-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME466931439964C03274520-
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME466932--516-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME46693371920C00670672-
glycerophosphoserine*sn-Glycero-3-phosphoserineME4669343081457-577-
glycineGlycineME466935750C000371375-
glycochenodeoxycholateGlycochenodeoxycholic acidME46693612544C054665236.1-
glycocholateGlycocholic acidME46693710140C019215163-
glycocholenate sulfate*Glycocholenate sulfateME466938--4750-
glycodeoxycholateGlycodeoxycholic acidME4669393035026C054645281-
glycolithocholate sulfate*Sulfoglycolithocholic acidME46694072222C113015011-
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*HexCer 18:1;O2/24:1ME466941--3990-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME466942--2623-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME466943--3053-
glycoursodeoxycholateGlycoursodeoxycholic acidME46694412310288-5033-
glycylisoleucineGly-IleME46694588079-3002-
glycylleucineGly-LeuME46694692843C021553059-
glycylvalineGly-ValME46694797417-2734-
guanidinoacetateGuanidoacetic acidME466948763C005811937-
guanidinosuccinateGuanidinosuccinic acidME46694997856C031391892-
guanineGuanineME466950764C002422032-
guanosineGuanosineME4669516802C003871728-
gulonate*Gulonic acidME4669529794176-2750-
harmaneHarmanME4669535281404C092093234-
heptanoate (7:0)Heptylic acidME4669548094C177143670-
hesperetinHesperetinME46695572281C017093679-
hesperidinHesperidinME46695610621C097553867-
hexadecanedioateHexadecanedioic acidME46695710459C196154615-
hexadecasphinganine (d16:0)*C16 SphinganineME466958656816C139151300-
hexadecasphingosine (d16:1)*C16 SphingosineME466959--1289-
hexanoylglycineHexanoylglycineME46696099463-2900-
hippurateHippuric acidME466961464C015862106.9-
histamineHistamineME466962774C003883035-
histidineHistidineME4669636274C00135755.9-
homoarginineHomoarginineME4669649085C019242882-
homocitrullineHomocitrullineME46696565072C024271908-
homoserineHomoserineME46696612647C002632875.8-
homovanillate sulfateHomovanillic acidME46696729981063-1047-
hydantoin-5-propionic acidHydantoin-5-propionic acidME466968782C055652080-
hyocholateHyocholic acidME46697092805C176495046-
hypoxanthineHypoxanthineME466971790C002621295-
imidazole lactateImidazolelactic acidME466972440129C055682040-
imidazole propionateImidazole propanoateME46697370630-2263-
indoleIndoleME466974798C004634302-
indole-3-carboxylic acidIndole-3-carboxylic acidME46697569867C198371708.8-
indoleacetateIndoleacetic acidME466976802C009542200-
indoleacrylateIndoleacrylic acidME46697715030923-2511-
indolelactateIndolelactic acidME46697892904C020432286-
indolepropionate3-Indolepropionic acidME4669793744-3205-
indolin-2-oneIndolin-2-oneME466980321710C123122575-
inosineInosineME4669816021C002941602.1-
inositol triphosphateInositol 1,3,4-trisphosphateME466982439455C01243541-
Isobar: fructose 1,6-diphosphate, glucose 1,6-diph...-ME466983--551-
isobutyrylglycineIsobutyrylglycineME46698410855600-1420-
isocaproateIsocaproic acidME46698512587-2570-
isoleucineIsoleucineME4669866306C004072800-
isoleucylglycineIle-GlyME466987342532-1992-
isoursodeoxycholateIsoursodeoxycholic acidME466988127601C176624809-
isovalerateIsovaleric acidME46698910430C082621564-
isovalerylglycineIsovalerylglycineME466990546304-1950-
I-urobilinogenMesobilirubinogenME46699126818C057904190-
kynurenateKynurenic acidME4669923845C017172224-
kynurenineKynurenineME466993161166C003282739-
lactateLactic acidME466994612C001861468.8-
lactobionateLactobionic acidME4669957314-645-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME466996--3778-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME466997--2527-
LAHSA (18:2/OH-18:0)*-ME466998--2936-
lanosterolLanosterolME466999246983C017242687-
laurate (12:0)Lauric acidME4670003893C026795300-
laurylcarnitine (C12)CAR 12:0ME46700110427569-1235-
leucineLeucineME4670026106C001232864-
leucylalanineLeu-AlaME467003259321-2801-
leucylglutamine*Leu-GlnME4670044305457-2620-
leucylglycineLeu-GlyME46700579070-2778-
levulinate (4-oxovalerate)Levulinic acidME46700611579-1433-
lignoceroylcarnitine (C24)*CAR 24:0ME467007--1603-
linoleamide (18:2n6)LinoleamideME4670086435901-1580-
linoleate (18:2n6)Linoleic acidME4670095280450C015955535-
linolenate [alpha or gamma; (18:3n3 or 6)]gamma-Linolenic acidME4670105280934C064265450-
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]*DG 18:3_18:3ME467011--2268-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME467013--2624-
linoleoylcarnitine (C18:2)*CAR 18:2ME4670146450015-1430-
linoleoyl ethanolamideLinoleoyl-EAME4670125283446-6150-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*DG 18:2_18:3ME467015--2426-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*DG 18:2_18:3ME467016--2478-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME467017--2689-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*DG 18:2_18:2ME467018--2760-
liquiritigeninLiquiritigeninME4670191889C097623345-
lithocholateLithocholic acidME4670209903C039905372-
L-urobilinL-UrobilinME4670215280818C057934624-
lysineLysineME4670225962C000472850-
lysylleucineLys-LeuME4670234682588-3370-
malateD-Malic acidME467024525C00149615.6-
malonateMalonic acidME467025867C00383612-
maltitol/lactitol/cellobiotol/palatinol-ME467026--750-
maltoseMaltoseME46702710991489C002083329.4-
maltotetraoseMaltotetraoseME467028446495C02052910-
maltotrioseMaltotrioseME467029439586C01835812-
mannitol/sorbitolSorbitolME4670305780C015072260-
mannoseMannoseME46703118950C001592200-
margarate (17:0)Margaric acidME46703210465-5731-
margaroyl ethanolamide*Margaroyl-EAME467033--1714-
mead acid (20:3n9)ETrE(5Z,8Z,11Z)ME4670345312531-5650-
methionineMethionineME4670356137C000732526-
methionine sulfoneMethionine sulfoneME46703669961-1250-
methionine sulfoxideMethionine sulfoxideME467037158980C029891272-
methyl indole-3-acetateIndole-3-methyl acetateME46703874706-3339-
methylmalonate (MMA)Methylmalonic acidME467039487C021703078.4-
methylphosphateMethanolphosphateME46704113130-544-
methylsuccinateMethylsuccinic acidME46704210349-2800-
mevalonateMevalonic acidME467043439230C021041462-
myo-inositolMyo-inositolME467044892C001373506.3-
myristate (14:0)Myristic acidME46704511005C064245440-
myristoleate (14:1n5)Myristoleic acidME4670465281119C083225346.9-
myristoleoylcarnitine (C14:1)*CAR 14:1ME467047--1316-
N(1)-acetylspermineN1-AcetylspermineME467048916C025673356-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME46705069698C058421250-
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME467051440810C058431260-
N1,N12-diacetylspermineN1,N12-DiacetylspermineME467049132680C034133105-
N2-acetyllysineN(2)-AcetyllysineME46705392907C129893372.6-
N2,N5-diacetylornithineN2,N5-DiacetylornithineME46705210398396-1310-
N6-acetyllysineN6-AcetyllysineME46705592832C027272612.6-
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME467056161466-2164-
N6-carboxyethyllysineN(6)-(2-Carboxyethyl)-lysineME467057--2695-
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME467058--2500-
N6-formyllysine-ME46705970923-1992-
N6-methyladenosineN6-MethyladenosineME467060102175-2264-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME467054440120C037932825-
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME467061--2100-
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME467062193270-2056-
N-acetylalanineN-AcetylalanineME46706388064C028471564.8-
N-acetylarginineN-AcetylarginineME46706467427C025622245-
N-acetylasparagineN-AcetylasparagineME46706599715-785-
N-acetylaspartate (NAA)N-Acetylaspartic acidME46706665065C010423143-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME4670675255C12270575.3-
N-acetyl-beta-alanineN-Acetyl-beta-alanineME46706876406C010731762.4-
N-acetyl-beta-glucosaminylamineN-Acetyl-beta-glucosaminylamineME467069439454C01239759-
N-acetyl-cadaverineN-AcetylcadaverineME467070--2385-
N-acetylcarnosineN-AcetylcarnosineME4670719903482-2141-
N-acetylcitrullineN-AcetylcitrullineME467072656979C15532940-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME467073--715-
N-acetylglucosaminylasparagineAspartylglycosamineME467074123826C045401212-
N-acetylglutamateN-Acetylglutamic acidME46707570914C006241050-
N-acetylglutamineN-AcetylglutamineME467076182230C02716845-
N-acetylglycineN-AcetylglycineME46707710972-826-
N-acetylhistamineN-AcetylhistamineME46707869602C051352287-
N-acetylhistidineN-AcetylhistidineME46707975619C029972065-
N-acetylisoleucineN-AcetylisoleucineME4670802802421-2325-
N-acetylleucineN-AcetylleucineME46708170912C027102400-
N-acetylmethionineN-AcetylmethionineME467082448580C027121787-
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME467083193368-880-
N-acetylmuramateN-Acetylmuramic acidME4670845462244C02713860-
N-acetylneuraminateN-Acetylneuraminic acidME467085439197C00270660-
N-acetylphenylalanineN-AcetylphenylalanineME46708674839C035192597-
N-acetylprolineN-Acetyl-prolineME467087322640-1695-
N-acetylputrescineN-AcetylputrescineME467088122356C027142230-
N-acetylpyrralineDehydroepiandrosteroneME467089--2545-
N-acetyl-S-allyl-L-cysteine-ME467090152467-2237-
N-acetylserineN-AcetylserineME46709165249-811-
N-acetylserotoninN-AcetylserotoninME467092903C009781975-
N-acetylsphingosineCer 18:1;O2/2:0ME4670935497136C001956000-
N-acetyltaurineN-AcetyltaurineME467094159864-1249-
N-acetylthreonineN-AcetylthreonineME467095152204-821.6-
N-acetyltryptophanN-Acetyl-tryptophanME467096700653C031372630-
N-acetyltyrosineN-AcetyltyrosineME46709768310-1680-
N-acetylvalineN-AcetylvalineME46709866789-1704-
N-alpha-acetylornithineN-AcetylornithineME467099439232C004372000-
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME467100--3911-
N-butyroyl-sphingosine (d18:1/4:0)Cer 18:1;O2/4:0ME4671015702612-6300-
N-carbamoylalanineN-CarbamoylalanineME467102426409-1005-
N-carbamoylaspartateN-Carbamoylaspartic acidME46710393072C004383800-
N-delta-acetylornithineN(5)-Acetyl-ornithineME4671049920500-1877-
N-formylanthranilic acidFormylanthranilic acidME467105101399C05653900-
N-formylmethionineN-FormylmethionineME467106439750C031451543.8-
N-formylphenylalanineN-FormylphenylalanineME467107759256-2360-
N-glycolylneuraminateN-GlycoloylneuraminateME467108123802C03410636-
nicotianamine(R,S,S)-NicotianamineME4671099882882C053241800-
nicotinamideNiacinamideME467110936C001531942-
nicotinamide ribosideNicotinamide ribosideME467111439924C031502040-
nicotinateNicotinic acidME467112938C002531673-
nicotinate ribonucleosideD-RibosylnicotinateME467113161234C058411536-
N-linoleoylglycineN-linoleoylglycineME4671146433346-5510-
N-methylalanineN-MethylalanineME467115-C027211536-
N-methyl-GABA4-(Methylamino)butyric acidME467116--2109-
N-methylhydantoinN-MethylhydantoinME46711769217C025651425-
N-methylphenylalanine-ME4671184657542-2790-
N-methylpipecolateN-methyl pipecolic acidME467119--1932-
N-methylprolineN-Methyl-prolineME467120557-1335-
N-methyltaurineN-MethyltaurineME467121--1576-
N-oleoylglycineN-Oleoyl glycineME4671226436908-5630-
N-oleoyltaurineN-Oleoyl taurineME4671236437033-5610-
nonadecanoate (19:0)Nonadecenoic acidME46712412591C165356068-
N-palmitoylglycineN-Palmitoyl glycineME467125151008-5580-
N-palmitoyl-sphingadienine (d18:2/16:0)*Cer 18:2;O2/16:0ME467126--2490-
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME4671275283572-3090-
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME4671285283564-2893-
N-palmitoyltaurineN-Palmitoyl taurineME467129--5560-
N-pentadecanoyl-sphingosine (d18:1/15:0)*-ME467130--2645-
N-propionylalanine-ME467131321155-1335-
N-propionylmethionine-ME467132103692-2290-
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME4671335283565-3392-
N-stearoyltaurineN-Stearoyl taurineME467134168274-5782-
OAHSA (18:1/OH-18:0)*-ME467135--3384-
octadecanedioateOctadecanedioic acidME46713670095-5043-
oleanolateOleanolic acidME46713710494C171485563-
oleate/vaccenate (18:1)Oleic acidME467138--5655-
oleoylcarnitine (C18:1)CAR 18:1ME467140--1423-
oleoylcholineOleoylcholineME467141--1449-
oleoyl ethanolamideOleoyl-EAME4671395283454-1661-
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*DG 18:1_18:3ME467142--2819-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME467143--3115-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME467144--3223-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*DG 18:1_18:1ME467145--3571-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*DG 18:1_18:1ME467146--3695-
ornithineOrnithineME4671476262C000772800-
orotateOrotic acidME467148967C002951638.1-
O-sulfo-L-tyrosineSulfotyrosineME467149514186-990-
PAHSA (16:0/OH-18:0)-ME467150--3411-
palmitate (16:0)Palmitic acidME467151985C002495618-
palmitic amidePalmitamideME46715269421-1661-
palmitoleate (16:1n7)Palmitoleic acidME467153445638C083625475-
palmitoleoylcarnitine (C16:1)*CAR 16:1ME467154--1357-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME467155--2664-
palmitoylcarnitine (C16)CAR 16:0ME467158461C029901425-
palmitoylcholineO-PalmitoylcholineME467159151731-1482-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME4671569939965-2290-
palmitoyl ethanolamidePalmitoyl-EAME4671574671C165121643-
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*DG 16:0_18:3ME467160--2834-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*DG 16:0_18:2ME4671619543695-3080-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME467162--3197-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*DG 16:0_18:1ME467163--3695-
pantetheinePantetheineME467164439322C008312056-
pantothenatePantothenic acidME4671656613C008641667-
paraxanthineParaxanthineME4671664687C137471810-
p-cresolP-CresolME4671672879C014684154-
p-cresol sulfatep-Cresol sulfateME4671684615423C014682890-
pentadecanoate (15:0)Pentadecylic acidME46716913849C165375521-
phenethylaminePhenylethylamineME4671701001C053323065-
phenol sulfatePhenyl hydrogen sulfateME46717174426C021802156-
phenylacetatePhenyl acetateME467172999C070862150-
phenylacetylglutamateN-Phenylacetylglutamic acidME46717311579826-2325-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME46717492258C041482330-
phenylacetylglycinePhenylacetylglycineME46717568144C055982375-
phenylacetylphenylalanine-ME46717647583-4260-
phenylalaninePhenylalanineME4671776140C000792878-
phenylalanylalaninePhe-AlaME467178--2909-
phenylalanylglycinePhe-GlyME46717998207-2898-
phenyllactate (PLA)Phenyllactic acidME4671803848C056072208-
phenylpropionylglycinePhenylpropionylglycineME467181152323-2945.3-
phenylpyruvatePhenylpyruvic acidME467182997C001662517.6-
pheophorbide APheophorbide aME4671835323510C180211562-
phosphatePhosphoric acidME4671841061C00009576-
phytosphingosinePhytosphingosineME467186122121C121441367-
picolinatePicolinic acidME4671871018C10164910-
pimelate (heptanedioate)Pimelic acidME467188385C026562745-
pipecolatePipecolic acidME467189849C004082200-
piperidinePiperidineME4671908082C017462500-
piperinePiperineME467191638024C038821168-
pregnen-diol disulfate*-ME467193--3868-
pregnenolone sulfatePregnenolone sulfateME467194105074-5100-
pregn steroid monosulfate*Pregnenolone sulfateME467192--5000-
prolineProlineME467195145742C001481603-
prolylglycinePro-GlyME467196--2136-
propionylglutamine-ME467197--1140-
propionylglycinePropionylglycineME46719898681-1502.5-
pseudouridinePseudouridineME46719915047C02067800-
pterinPterinME46720073000C007151805-
putrescinePutrescineME4672011045C001343027-
pyridoxalPyridoxalME4672021050C002502343-
pyridoxaminePyridoxamineME4672031052C005342975-
pyridoxate4-Pyridoxic acidME4672046723C008472185-
pyridoxine (Vitamin B6)PyridoxineME4672051054C003142442-
pyroglutamine*PyroglutamineME467206134508-1900-
pyrralinePyrralineME467207--2304-
pyruvatePyruvic acidME4672081060C00022732.4-
quinateQuinic acidME4672096508C002962432.9-
quinolinateQuinolinic acidME4672101066C03722630-
retinol (Vitamin A)RetinolME467211445354C004731636-
ribitolRibitolME4672126912C004741789.6-
riboflavin (Vitamin B2)RiboflavinME467213493570C002552292-
ribonateRibonic acidME4672145460677C016852425-
riboseRiboseME4672155779C001211508.2-
ribulose/xyluloseXyluloseME467216--1400-
rosmarinateRosmarinic acidME4672175281792C018502785-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME4672181196C043221528-
saccharinSaccharinME4672195143D010851999.7-
saccharopineSaccharopineME467220160556C004492530-
salicylateSalicylic acidME467221338C00805802-
sarcosineSarcosineME4672221088C002131280-
S-carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME4672231080C037271490-
sebacate (decanedioate)Sebacic acidME4672245192C082771788-
secoisolariciresinolSecoisolariciresinolME46722565373C181673945-
secoisolariciresinol diglucoside-ME4672269917980-3380-
sedoheptuloseGlucoheptuloseME4672275459879-2255-
sedoheptulose-7-phosphateSedoheptulose 7-phosphateME467228616C05382599.6-
serineSerineME4672295951C000651239-
serotoninSerotoninME4672305202C007802550-
sinapateSinapic acidME467231637775C004821973-
skatol3-MethylindoleME4672326736C083134875-
S-methylcysteineMethylcysteineME46723324417-1955-
S-methylmethionineS-MethylmethionineME467234458C053192584-
solanidineSolanidineME46723565727C065431010-
soyasaponin IIISoyasaponin IIIME467236-C198655176-
spermidineSpermidineME4672371102C003153355-
sphinganineSphinganineME4672383126C008361413-
sphingomyelin (d18:0/18:0, d19:0/17:0)*SM 18:0;O2/18:0ME467239--2362-
sphingomyelin (d18:1/14:0, d16:1/16:0)*SM 32:1;O2ME46724011433862-1998-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 18:1;O2/17:0ME467241--2312-
sphingomyelin (d18:1/19:0, d19:1/18:0)*SM 18:1;O2/19:0ME467242--2330-
sphingomyelin (d18:1/20:0, d16:1/22:0)*SM 38:1;O2ME467243--2685-
sphingomyelin (d18:1/20:1, d18:2/20:0)*SM 38:2;O2ME467244--2383-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...SM 18:1;O2/21:0ME467245--2793-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...SM 40:2;O2ME467246--2666-
sphingomyelin (d18:1/24:1, d18:2/24:0)*SM 42:2;O2ME467247--3033-
sphingomyelin (d18:2/16:0, d18:1/16:1)*SM 34:2;O2ME467248--2002-
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME467249--2315-
sphingomyelin (d18:2/24:1, d18:1/24:2)*SM 18:2;O2/24:1ME467250--2635-
sphingosineSphingosineME4672515353955C003191393-
stachydrineStachydrineME467252115244C101721440-
stearate (18:0)Stearic acidME4672535281C015305872-
stearoylcarnitine (C18)CAR 18:0ME4672556426855-1485-
stearoyl ethanolamideStearoyl-EAME46725427902-1787-
steviolSteviolME467256452967C202125327-
stigmasterolStigmasterolME4672575280794C054422875-
suberate (octanedioate)Suberic acidME46725810457C08278804.3-
succinateSuccinic acidME4672591110C000423149-
succinimideSuccinimideME46726011439C072732155-
succinylcarnitine (C4-DC)CAR DC4:0ME467261--2291-
sucraloseSucraloseME46726271485C122853140-
sucroseSucroseME4672635988C000893092-
sulfate*-ME4672641118C00059616-
syringic acidSyringic acidME46726510742C108331450-
tartarateTartaric acidME467266444305C00898615.3-
taurineTaurineME4672671123C00245660-
taurochenodeoxycholateTaurochenodeoxycholic acidME467268387316C054655250-
taurocholateTaurocholic acidME4672696675C051225150-
taurocholenate sulfateTaurocholenate sulfateME467270--4750-
taurodeoxycholateTaurodeoxycholic acidME4672712733768C054635257.4-
taurolithocholateTaurolithocholic acidME46727210595C025925345-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME467273440071C036425026.7-
tetrahydrodeoxycorticosterone disulfate-ME467274--4300-
theobromineTheobromineME4672755429C074801600-
theophyllineTheophyllineME4672762153C071301870-
thiamin (Vitamin B1)ThiamineME4672771130C003783050-
thioprolineThioprolineME467278--1250-
threonateThreonic acidME467279151152C016202384-
threonineThreonineME4672806288C001881514-
threonylphenylalanineThr-PheME467281--3077-
thymidineThymidineME4672825789C002141963.7-
thymidine 5'-monophosphateTMPME4672849700C00364883-
thymineThymineME4672831135C001781654-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME4669695810C011571064-
trans-urocanateUrocanic acidME467285736715C007852285-
tricarballylate1,2,3-Propanetricarboxylic acidME46728614925C19806578-
trigonelline (N'-methylnicotinate)TrigonellineME4672875570C010041388-
trimethylamine N-oxideTrimethylamine N-oxideME4672881145C011042100-
tryptamineTryptamineME4672891150C003983062-
tryptophanTryptophanME4672906305C000782986-
tryptophan betaineLenticinME467291442106C092132673-
tryptophylglycineTrp-GlyME467292263471-2930-
tyramineTyramineME4672935610C004832540-
tyramine O-sulfateTyramine-O-sulfateME467294153005-1565-
tyrosineTyrosineME4672956057C000822430-
tyrosolTyrosolME46729610393C060442716-
tyrosylglycineTyr-GlyME467297259323-1635-
undecanedioateUndecanedioic acidME46729815816-2440-
undecanoate (11:0)Undecylic acidME4672998180C177155219.2-
uracilUracilME4673001174C001061086-
urateUric acidME4673011175C00366757.1-
uridineUridineME4673026029C002991457.6-
ursocholateUrsocholic acidME467303--4648-
ursodeoxycholateUrsodeoxycholic acidME46730431401C078805055-
ursodeoxycholate sulfate (1)-ME467305--4328-
ursodeoxycholate sulfate (2)-ME467306--4538-
valerateValeric acidME4673077991C008031718-
valerylglycineValerylglycineME4673084737557-2071-
valerylphenylalanine-ME467309--4176-
valineValineME4673106287C001832479-
valylglutamineVal-GlnME4673115253209-2295-
valylglycineVal-GlyME467312136487-2444-
valylleucineVal-LeuME467313352039-3138-
vanillactateVanillactic acidME467314160637-1625-
vanillateMethyl vanillateME4673158468C066721100-
xanthineXanthineME4673161188C003851032-
xanthosineXanthosineME46731764959C017621075-
xanthurenateXanthurenic acidME4673185699C024701476-
xyloseXyloseME467319135191C001811727-


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