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Analysis: Reversed phase

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 acidME234158----
10-hydroxystearateRosilic acidME234159----
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME234160----
1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)PE P-18:1/18:1ME234140----
1-(1-enyl-oleoyl)-GPE (P-18:1)LPE P-18:1 or LPE O-18:2ME234141----
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME234142----
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME234143----
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)PC P-16:0/18:2 or PC O-16:1/18:2ME234144----
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)PE P-16:0/18:2 or PE O-16:1/18:2ME234145----
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)PC P-16:0/18:1 or PC O-16:1/18:1ME234146----
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)PE P-16:0/18:1 or PE O-16:1/18:1ME234147----
1-(1-enyl-palmitoyl)-GPC (P-16:0)LPC P-16:0 or LPC O-16:1ME234148----
1-(1-enyl-palmitoyl)-GPE (P-16:0)LPE P-16:0 or LPE O-16:1ME234149----
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME234150----
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)PE P-18:0/18:2 or PE O-18:1/18:2ME234151----
1-(1-enyl-stearoyl)-GPE (P-18:0)LPE P-18:0 or LPE O-18:1ME234152----
12,13-DiHOME12,13-DiHOMEME234161----
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)-ME234153----
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME234154----
1,2-dilinoleoyl-GPE (18:2/18:2)PE 18:2/18:2ME234155----
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME234156----
1,2-distearoyl-GPC (18:0/18:0)PC 18:0/18:0ME234157----
12-HETE12-HETEME234162----
1-(3-aminopropyl)-2-pyrrolidone-ME234464----
13-HODE + 9-HODEHODEME234163----
13-methylmyristateIsopentadecylic acidME234164----
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME234064----
15-methylpalmitate15-Methylpalmitic acidME234165----
17-methylstearateXi-17-Methyloctadecanoic acidME234166----
1-arachidonylglycerol (20:4)MG 20:4ME234167----
1-dihomo-linolenylglycerol (20:3)MG 20:3/0:0/0:0ME234168----
1-docosahexaenoylglycerol (22:6)MG 22:6ME234169----
1-eicosapentaenoylglycerol (20:5)MG 20:5ME234170----
1H-quinolin-2-one2-HydroxyquinolineME234465----
1-kestose1-KestoseME234466----
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME234171----
1-linolenoylglycerol (18:3)MG 18:3ME234172----
1-linolenoyl-GPC (18:3)LPC 18:3ME234173----
1-linoleoylglycerol (18:2)MG 18:2ME234174----
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME234175----
1-linoleoyl-GPE (18:2)LPE 18:2/0:0ME234176----
1-linoleoyl-GPG (18:2)LPG 18:2/0:0ME234177----
1-methyladenine1-MethyladenineME234377----
1-methylguanidineMethylguanidineME233901----
1-methylguanine1-MethylguanineME234378----
1-methylhistidine1-MethylhistidineME233902----
1-methylimidazoleacetateMethylimidazoleacetic acidME233903----
1-methylnicotinamide1-Methyl nicotinamideME234098----
1-myristoylglycerol (14:0)MG 16:3ME234178----
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)PC 18:1_18:2ME234179----
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)PE 18:1/18:2ME234180----
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME234181----
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME234182----
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME234183----
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)PC 16:1/18:2ME234184----
1-palmitoleoyl-GPC (16:1)LPC 16:1/0:0ME234185----
1-palmitoyl-2-alpha-linolenoyl-GPC (16:0/18:3n3)PC 16:0_18:3ME234186----
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4)PC 16:0_20:4ME234187----
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)PE 16:0/20:4ME234188----
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0...DGDG 16:0_18:2ME234189----
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/1...MGDG 16:0_18:2ME234190----
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME234191----
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME234192----
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME234193----
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME234194----
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)PC 16:0/16:1ME234195----
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME234196----
1-palmitoylglycerol (16:0)MG 16:0/0:0/0:0ME234197----
1-palmitoyl-GPA (16:0)LPA 16:0/0:0ME234198----
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME234199----
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME234200----
1-palmitoyl-GPG (16:0)LPG 16:0/0:0ME234201----
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME234202----
1-palmitoyl-GPS (16:0)LPS 16:0/0:0ME234203----
1-pentadecanoylglycerol (15:0)MG 15:0ME234204----
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME234205----
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME234206----
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME234207----
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)PC 18:0/18:2ME234208----
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)PE 18:0/18:2ME234209----
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME234210----
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME234211----
1-stearoyl-2-oleoyl-GPS (18:0/18:1)PS 18:0/18:1ME234212----
1-stearoyl-GPA (18:0)LPA 18:0/0:0ME234213----
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME234214----
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME234215----
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME234216----
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME234217----
1-stearoyl-GPS (18:0)LPS 18:0/0:0ME234218----
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME234467----
2-(4-hydroxyphenyl)propionate4-Hydroxyphenyl-2-propionic acidME233904----
2,8-quinolinediolQuinoline-2,8-diolME234468----
2,8-quinolinediol sulfate-ME234469----
2-aminoadipatealpha-Aminoadipic acidME233905----
2-aminobutyrate2-Aminobutyric acidME233906----
2'-deoxyadenosineDeoxyadenosineME234379----
2'-deoxyadenosine 5'-monophosphatedAMPME234380----
2'-deoxycytidineDeoxycytidineME234381----
2'-deoxycytidine 5'-monophosphatedCMPME234382----
2'-deoxyguanosineDeoxyguanosineME234383----
2'-deoxyinosineDeoxyinosineME234384----
2'-deoxyuridineDeoxyuridineME234385----
2-docosahexaenoylglycerol (22:6)MG 22:6ME234219----
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME233907----
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME233908----
2-hydroxydecanoate2-Hydroxycapric acidME234220----
2-hydroxyglutarate2-Hydroxyglutaric acidME234221----
2-hydroxypalmitate2-Hydroxypalmitic acidME234222----
2-hydroxystearate2-Hydroxystearic acidME234223----
2-isopropylmalate2-Isopropylmalic acidME234470----
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME234471----
2-ketogluconate2-Dehydro-D-gluconic acidME234472----
2-ketogulonate-ME234065----
2-linoleoylglycerol (18:2)MG 18:2ME234224----
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME233909----
2-methylcitrate/homocitrateHomocitric acidME234128----
2-myristoylglycerol (14:0)MG 0:0/14:0/0:0ME234225----
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME234226----
2-oxindole-3-acetate2-Oxindole-3-acetateME234473----
2-palmitoleoylglycerol (16:1)MG 16:1ME234227----
2-palmitoylglycerol (16:0)MG 0:0/16:0/0:0ME234228----
2-palmitoyl-GPC (16:0)LPC 0:0/16:0ME234229----
2-stearoyl-GPE (18:0)LPE 0:0/18:0ME234230----
3,4-dihydroxybenzoateProtocatechuic acidME234474----
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME233910----
3,5-dihydroxybenzoic acid3,5-Dihydroxybenzoic acidME234475----
3-carboxyadipate-ME234231----
3-dehydrocholate3-Dehydrocholic acidME234232----
3-deoxyoctulosonate-ME234476----
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME234233----
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME234234----
3-hydroxydecanoate3-Hydroxydecanoic acidME234235----
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME234236----
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME233911----
3-hydroxylaurate3-Hydroxydodecanoic acidME234237----
3-hydroxyoctanoate3-Hydroxyoctanoic acidME234238----
3-hydroxypalmitate3-Hydroxyhexadecanoic acidME234239----
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME234477----
3-hydroxysebacate3-Hydroxysebacic acidME234240----
3-ketosphinganine3-KetosphinganineME234241----
3-methyl-2-oxobutyrateKetoisovaleric acidME233912----
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME233913----
3-methylhistidine3-MethylhistidineME233914----
3-phosphoglycerate3-Phosphoglyceric acidME234066----
3-sialyllactose-ME234067----
3-sulfo-L-alanineCysteic acidME233915----
3-ureidopropionateUreidopropionic acidME234386----
4-acetamidobutanoate4-Acetamidobutanoic acidME233916----
4-cholesten-3-oneCholestenoneME234242----
4-guanidinobutanoate4-Guanidinobutanoic acidME233917----
4-hydroxybenzoate4-Hydroxybenzoic acidME234478----
4-hydroxybutyrate (GHB)4-Hydroxybutyric acidME234243----
4-hydroxycinnamatecis-p-Coumaric acidME233918----
4-hydroxycinnamate sulfate4-Hydroxycinnamate sulfateME233919----
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME233920----
4-hydroxyhippurate4-Hydroxyhippuric acidME234479----
4-hydroxymandelate4-Hydroxymandelic acidME234480----
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME233921----
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME233922----
4-imidazoleacetateImidazoleacetic acidME233923----
4-methyl-2-oxopentanoateKetoleucineME233924----
4-methylthio-2-oxobutanoate2-Oxo-4-methylthiobutanoic acidME233925----
4-vinylphenol sulfate4-HydroxystyreneME234481----
5,6-dihydrothymineDihydrothymineME234387----
5-aminovalerate5-Aminopentanoic acidME233926----
5-dodecenoate (12:1n7)5-Dodecenoic acidME234244----
5-hydroxylysine5-HydroxylysineME233927----
5-methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME234388----
5-methylthioadenosine (MTA)5'-MethylthioadenosineME233928----
5-methyluridine (ribothymidine)RibothymidineME234389----
5-oxoprolinePyroglutamic acidME233929----
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME234245----
7-ketodeoxycholate7-Ketodeoxycholic acidME234246----
7-methylguanine7-MethylguanineME234390----
8-hydroxyguanine8-HydroxyguanineME234391----
9,10-DiHOME9,10-DiHOMEME234247----
acetylcarnitineCAR 2:0ME234248----
aconitate [cis or trans]cis-Aconitic acidME234129----
adenineAdenineME234392----
adenosineAdenosineME234393----
adenosine 3',5'-cyclic monophosphate (cAMP)3',5' cyclic AMPME234394----
adenosine 5'-monophosphate (AMP)AMPME234395----
adrenate (22:4n6)Adrenic acidME234249----
afromosinAfrormosinME234482----
alanineAlanineME233930----
alanylleucineAla-LeuME234426----
allantoinAllantoinME234396----
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME233931----
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME233932----
alpha-ketoglutarate2-Oxoglutaric acidME234130----
alpha-muricholatealpha-Muricholic acidME234250----
alpha-tocopherolalpha-TocopherolME234099----
alpha-tocopherol acetateTocopherol acetateME234100----
alpha-tocotrienolalpha-TocotrienolME234101----
anserineAnserineME234427----
apigeninApigeninME234483----
arabinoseArabinoseME234068----
arabitol/xylitolArabitolME234069----
arabonate/xylonateArabinonic acid/Xylonic acidME234070----
arachidate (20:0)Arachidic acidME234251----
arachidonate (20:4n6)Arachidonic acidME234252----
arginineArginineME233933----
argininosuccinateArgininosuccinic acidME233934----
asparagineAsparagineME233935----
aspartateAspartic acidME233936----
azelate (nonanedioate)Azelaic acidME234253----
behenate (22:0)Behenic acidME234254----
benzoateBenzoic acidME234484----
beta-alaninebeta-AlanineME234397----
beta-citrylglutamateBeta-Citryl-glutamic acidME233937----
beta-guanidinopropanoate3-Guanidinopropanoic acidME234485----
betaineBetaineME233938----
beta-muricholatebeta-Muricholic acidME234255----
beta-sitosterolSitosterolME234256----
bilirubin (Z,Z)BilirubinME234102----
biliverdinBiliverdinME234103----
biochanin ABiochanin AME234486----
butyrylcarnitineCAR 4:0ME234257----
butyrylglycineN-ButyrylglycineME234258----
caffeic acid sulfate-ME234487----
campesterolCampesterolME234259----
caprate (10:0)Capric acidME234260----
caproate (6:0)Caproic acidME234261----
caprylate (8:0)Caprylic acidME234262----
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME233939----
carnitineCarnitineME234263----
carnosineCarnosineME234428----
chenodeoxycholateChenodeoxycholic acidME234264----
chiro-inositol1D-chiro-InositolME234265----
cholateCholic acidME234266----
cholate sulfate-ME234267----
cholesterolCholesterolME234268----
cholineCholineME234269----
choline phosphateCholine phosphateME234270----
chrysoeriolChrysoeriolME234488----
cis-urocanateUrocanic acidME233940----
citraconate/glutaconateCitraconic acid/Glutaconic acidME234131----
citrateCitric acidME234132----
citrullineCitrullineME233941----
coumaroylquinate (4)-ME234489----
coumaroylquinate (5)-ME234490----
coumestrolCoumestrolME234491----
creatineCreatineME233942----
creatinineCreatinineME233943----
cystathionineCystathionineME233944----
cysteineCysteineME233945----
cysteine s-sulfateCysteine-S-sulfateME233946----
cysteine sulfinic acid3-Sulfino-alanineME233947----
cysteinylglycineCys-GlyME233948----
cystineCystineME233949----
cytidineCytidineME234398----
cytidine 2',3'-cyclic monophosphate2',3' cyclic CMPME234399----
cytidine 5'-monophosphate (5'-CMP)CMPME234400----
cytosineCytosineME234401----
daidzeinDaidzeinME234492----
daidzein sulfate (1)-ME234493----
daidzein sulfate (2)-ME234494----
daidzinDaidzinME234495----
delta-tocopheroldelta-TocopherolME234104----
deoxycarnitine3-DehydroxycarnitineME234271----
deoxycholateDeoxycholic acidME234272----
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])DG 34:3ME234273----
diaminopimelate2,6-Diaminopimelic acidME234496----
digalacturonic acidDigalacturonic acidME234497----
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME234274----
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME234275----
dihydroferulic acidDihydroferulic acidME234498----
dihydroorotate4,5-Dihydroorotic acidME234402----
dimethylarginine (SDMA + ADMA)DimethylarginineME233950----
dimethylglycineDimethylglycineME233951----
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME234276----
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME234277----
docosapentaenoate (n3 DPA; 22:5n3)DPAME234278----
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME234279----
dodecanedioateDodecanedioic acidME234280----
D-urobilinD-UrobilinME234105----
ectoineEctoineME234499----
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME234281----
eicosenoate (20:1)cis-Gondoic acidME234282----
equolEquolME234500----
equol glucuronide-ME234501----
equol sulfate-ME234502----
ergothioneineErgothioneineME234503----
erucate (22:1n9)cis-Erucic acidME234283----
erythritolErythritolME234504----
erythronateErythronic acidME234071----
ethylmalonateEthylmalonic acidME233952----
ferulatetrans-Ferulic acidME234505----
ferulic acid 4-sulfateFerulic acid 4-sulfateME234506----
feruloylputrescineSubaphyllineME234507----
ferulylglycine (1)-ME234508----
ferulylglycine (2)-ME234509----
flavin mononucleotide (FMN)FMNME234106----
formiminoglutamateFormiminoglutamic acidME233953----
formononetinFormononetinME234510----
fructoseFructoseME234072----
fumarateFumaric acidME234133----
galactarate (mucic acid)Galactaric acidME234511----
galactitol (dulcitol)GalactitolME234073----
galactonateGalactonic acidME234074----
gamma-aminobutyrate (GABA)gamma-Aminobutyric acidME233954----
gamma-glutamylalaninegamma-GlutamylalanineME234429----
gamma-glutamylcysteinegamma-GlutamylcysteineME234430----
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME234431----
gamma-glutamylglutamategamma-Glutamylglutamic acidME234432----
gamma-glutamylglutaminegamma-GlutamylglutamineME234433----
gamma-glutamylglycinegamma-GlutamylglycineME234434----
gamma-glutamylhistidinegamma-GlutamylhistidineME234435----
gamma-glutamylisoleucinegamma-GlutamylisoleucineME234436----
gamma-glutamylleucinegamma-GlutamylleucineME234437----
gamma-glutamylmethioninegamma-GlutamylmethionineME234438----
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME234439----
gamma-glutamyltryptophangamma-GlutamyltryptophanME234440----
gamma-glutamyltyrosinegamma-GlutamyltyrosineME234441----
gamma-glutamylvalinegamma-GlutamylvalineME234442----
gamma-tocopherol/beta-tocopherolbeta-tocopherolME234107----
gamma-tocotrienolgamma-TocotrienolME234108----
genisteinGenisteinME234512----
gentisateGentisic acidME233955----
glucarate (saccharate)Glucaric acidME234109----
gluconateGluconic acidME234513----
glucoseGlucoseME234075----
glucuronateGlucuronic acidME234076----
glutamateGlutamic acidME233956----
glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME233957----
glutamineGlutamineME233958----
glutaminylleucineGln-LeuME234443----
glutarate (pentanedioate)Glutaric acidME233959----
glutarylcarnitine (C5)CAR 5:0ME233960----
glycerateGlyceric acidME234077----
glycerolGlycerolME234284----
glycerol 3-phosphatesn-Glycero-3-phosphateME234285----
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME234286----
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME234287----
glycerophosphoinositolsn-Glycero-3-phosphoinositolME234288----
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME234289----
glycineGlycineME233961----
glyciteinGlyciteinME234514----
glycitinGlycitinME234515----
glycylisoleucineGly-IleME234444----
glycylleucineGly-LeuME234445----
glycylvalineGly-ValME234446----
guanidinoacetateGuanidoacetic acidME233962----
guanidinosuccinateGuanidinosuccinic acidME233963----
guanineGuanineME234403----
guanosineGuanosineME234404----
guanosine 5'- monophosphate (5'-GMP)GMPME234405----
gulonateGulonic acidME234110----
hemeHemeME234111----
heptanoate (7:0)Heptylic acidME234290----
hexadecanedioateHexadecanedioic acidME234291----
hexanoylcarnitineCAR 6:0ME234292----
histamineHistamineME233964----
histidineHistidineME233965----
histidylalanineHis-AlaME234447----
homocitrullineHomocitrullineME233966----
homocysteineHomocysteineME233967----
homogentisateHomogentisic acidME233968----
hyocholateHyocholic acidME234293----
hyodeoxycholateHyodeoxycholic acidME234294----
hypotaurineHypotaurineME233969----
hypoxanthineHypoxanthineME234406----
imidazole lactateImidazolelactic acidME233970----
imidazole propionateImidazole propanoateME233971----
indoleacetateIndoleacetic acidME233972----
indolelactateIndolelactic acidME233973----
indolin-2-oneIndolin-2-oneME234516----
inosineInosineME234407----
isobutyrylcarnitineCAR 3:0;2MeME233974----
isobutyrylglycineIsobutyrylglycineME233975----
isocaproateIsocaproic acidME234295----
isocitric lactoneIsocitric acid lactoneME234134----
isoleucineIsoleucineME233976----
isoleucylglycineIle-GlyME234448----
isomaltoseIsomaltoseME234078----
isovalerateIsovaleric acidME233977----
isovalerylcarnitineCAR 4:0;3MeME233978----
isovalerylglycineIsovalerylglycineME233979----
kynurenateKynurenic acidME233980----
kynurenineKynurenineME233981----
lactateLactic acidME234079----
lactobionateLactobionic acidME234080----
leucineLeucineME233982----
leucylalanineLeu-AlaME234449----
leucylglutamineLeu-GlnME234450----
leucylglycineLeu-GlyME234451----
linoleate (18:2n6)Linoleic acidME234296----
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME234297----
linoleoylcarnitineCAR 18:2ME234299----
linoleoyl ethanolamideLinoleoyl-EAME234298----
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]DG 18:2_18:3ME234300----
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]DG 18:2_18:3ME234301----
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]DG 18:2_18:2ME234302----
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]DG 18:2_18:2ME234303----
lysineLysineME233983----
lysylleucineLys-LeuME234452----
malateMalic acidME234135----
maleateMaleic acidME234304----
malonateMalonic acidME234305----
maltopentaoseMaltopentaoseME234081----
maltoseMaltoseME234082----
maltotetraoseMaltotetraoseME234083----
maltotrioseMaltotrioseME234084----
mannitol/sorbitolSorbitolME234085----
margarate (17:0)Margaric acidME234306----
methionineMethionineME233984----
methionine sulfoxideMethionine sulfoxideME233985----
methyl glucopyranoside (alpha + beta)Methyl glucoseME234517----
methyl indole-3-acetateIndole-3-methyl acetateME234518----
methylphosphateMethanolphosphateME234408----
methylsuccinateMethylsuccinic acidME233986----
mevalonateMevalonic acidME234307----
mevalonolactoneMevalonolactoneME234308----
myo-inositolMyo-inositolME234309----
myristate (14:0)Myristic acidME234310----
myristoleate (14:1n5)Myristoleic acidME234311----
myristoleoylcarnitineCAR 14:1ME234312----
myristoylcarnitineCAR 14:0ME234313----
N(1)-acetylspermineN1-AcetylspermineME233987----
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME234112----
N1,N12-diacetylspermineN1,N12-DiacetylspermineME233988----
N2-acetyllysineN(2)-AcetyllysineME233990----
N2,N6-diacetyllysineN,N'-Diacetyl-lysineME233989----
N6-acetyllysineN6-AcetyllysineME233992----
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME234410----
N6-carboxyethyllysineN(6)-(2-Carboxyethyl)-lysineME233993----
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME234086----
N6-formyllysine-ME233994----
N6-methyladenosineN6-MethyladenosineME234411----
N6,N6-dimethyladenosineN(6),N(6)-DimethyladenosineME234409----
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME233991----
N6-succinyladenosineSuccinyladenosineME234412----
N-acetyl-1-methylhistidineN-Acetyl-3-methylhistidineME233995----
N-acetyl-3-methylhistidineN-Acetyl-3-methylhistidineME233996----
N-acetylalanineN-AcetylalanineME233997----
N-acetylarginineN-AcetylarginineME233998----
N-acetylasparagineN-AcetylasparagineME233999----
N-acetylaspartate (NAA)N-Acetylaspartic acidME234000----
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME234001----
N-acetyl-beta-alanineN-Acetyl-beta-alanineME234413----
N-acetyl-cadaverineN-AcetylcadaverineME234002----
N-acetylcarnosineN-AcetylcarnosineME234453----
N-acetylcitrullineN-AcetylcitrullineME234003----
N-acetylcysteineN-AcetylcysteineME234004----
N-acetylglucosaminylasparagineAspartylglycosamineME234087----
N-acetylglutamateN-Acetylglutamic acidME234005----
N-acetylglutamineN-AcetylglutamineME234006----
N-acetylglycineN-AcetylglycineME234007----
N-acetylhistamineN-AcetylhistamineME234008----
N-acetylhistidineN-AcetylhistidineME234009----
N-acetylisoleucineN-AcetylisoleucineME234010----
N-acetylleucineN-AcetylleucineME234011----
N-acetylmethionineN-AcetylmethionineME234012----
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME234013----
N-acetylmuramateN-Acetylmuramic acidME234088----
N-acetylneuraminateN-Acetylneuraminic acidME234089----
N-acetylphenylalanineN-AcetylphenylalanineME234014----
N-acetylprolineN-Acetyl-prolineME234015----
N-acetylputrescineN-AcetylputrescineME234016----
N-acetylserineN-AcetylserineME234017----
N-acetyltaurineN-AcetyltaurineME234018----
N-acetylthreonineN-AcetylthreonineME234019----
N-acetyltryptophanN-Acetyl-tryptophanME234020----
N-acetyltyrosineN-AcetyltyrosineME234021----
N-acetylvalineN-AcetylvalineME234022----
N-alpha-acetylornithineN-AcetylornithineME234023----
naringeninNaringeninME234519----
naringenin 7-glucuronide-ME234520----
N-carbamoylaspartateN-Carbamoylaspartic acidME234414----
N-delta-acetylornithineN(5)-Acetyl-ornithineME234024----
nervonate (24:1n9)Nervonic acidME234314----
N-formylmethionineN-FormylmethionineME234025----
N-formylphenylalanineN-FormylphenylalanineME234026----
N-glycolylneuraminateN-Glycoloylneuraminic acidME234521----
nicotianamine(R,S,S)-NicotianamineME234522----
nicotinamideNiacinamideME234113----
nicotinamide ribosideNicotinamide ribosideME234114----
nicotinateNicotinic acidME234115----
nicotinate ribonucleosideD-RibosylnicotinateME234116----
N-methyl-GABA4-(Methylamino)butyric acidME234027----
N-methylglutamateN-Methyl-glutamic acidME234028----
N-methylprolineN-Methyl-prolineME234029----
N-monomethylarginineTarginineME234030----
N-oleoyltaurineN-Oleoyl taurineME234315----
nonadecanoate (19:0)Nonadecylic acidME234316----
N-palmitoylglycineN-Palmitoyl glycineME234317----
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME234318----
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME234319----
N-stearoyl-sphingosine (d18:1/18:0)Cer 18:1;O2/18:0ME234320----
octanoylcarnitineCAR 8:0ME234321----
oleate/vaccenate (18:1)Oleic acidME234322----
oleoylcarnitineCAR 18:1ME234324----
oleoylcholineOleoylcholineME234325----
oleoyl ethanolamideOleoyl-EAME234323----
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME234326----
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME234327----
O-methyltyrosineO-MethyltyrosineME234031----
ornithineOrnithineME234032----
orotateOrotic acidME234415----
orotidineOrotidineME234416----
O-sulfo-L-tyrosineSulfotyrosineME234523----
oxalate (ethanedioate)Oxalic acidME234117----
palmitate (16:0)Palmitic acidME234328----
palmitoleate (16:1n7)Palmitoleic acidME234329----
palmitoleoylcarnitineCAR 16:1ME234330----
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]DG 16:1_18:2ME234331----
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]DG 16:0_20:4ME234335----
palmitoylcarnitineCAR 16:0ME234336----
palmitoylcholinePalmitoylcholineME234337----
palmitoyl dihydrosphingomyelin (d18:0/16:0)SM 18:0;O2/16:0ME234332----
palmitoyl ethanolamidePalmitoyl-EAME234333----
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]DG 16:0_18:3ME234338----
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]DG 16:0_18:2ME234339----
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]DG 16:0_18:2ME234340----
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]DG 16:0_18:1ME234341----
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME234334----
pantothenatePantothenic acidME234118----
p-cresol-glucuronideP-Cresol glucuronideME234034----
p-cresol sulfatep-Cresol sulfateME234033----
pentadecanoate (15:0)Pentadecylic acidME234342----
phenylacetatePhenyl acetateME234035----
phenylacetylglycinePhenylacetylglycineME234454----
phenylalaninePhenylalanineME234036----
phenylalanylalaninePhe-AlaME234455----
phenylalanylglycinePhe-GlyME234456----
phenyllactate (PLA)Phenyllactic acidME234037----
phenylpyruvatePhenylpyruvic acidME234038----
pheophorbide APheophorbide aME234524----
phosphatePhosphoric acidME234136----
phytosphingosinePhytosphingosineME234343----
picolinatePicolinic acidME234039----
pinitolPinitolME234344----
pipecolatePipecolic acidME234040----
pro-hydroxy-proPro-hydroxyProME234041----
prolineProlineME234042----
prolylglycinePro-GlyME234457----
propionylcarnitineCAR 3:0ME234345----
pseudouridinePseudouridineME234417----
putrescinePutrescineME234043----
pyridoxalPyridoxalME234119----
pyridoxaminePyridoxamineME234120----
pyridoxate4-Pyridoxic acidME234121----
pyridoxine (Vitamin B6)PyridoxineME234122----
pyroglutaminePyroglutamineME234044----
pyrralinePyrralineME234525----
pyruvatePyruvic acidME234090----
quinateQuinic acidME234526----
quinolinateQuinolinic acidME234123----
raffinoseRaffinoseME234091----
riboflavin (Vitamin B2)RiboflavinME234124----
ribonateRibonic acidME234092----
riboseRiboseME234093----
ribulose/xyluloseXyluloseME234094----
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME234045----
S-(3-hydroxypropyl)mercapturic acid (HPMA)N-Acetyl-S-(3-hydroxypropyl)-cysteineME234527----
saccharopineSaccharopineME234046----
salicylateSalicylic acidME234528----
sarcosineSarcosineME234047----
sebacate (decanedioate)Sebacic acidME234346----
sedoheptuloseGlucoheptuloseME234095----
serineSerineME234048----
serotoninSerotoninME234049----
sinapateSinapic acidME234529----
soyasaponin ISoyasaponin IME234530----
soyasaponin IISoyasaponin IIME234531----
soyasaponin IIISoyasaponin IIIME234532----
spermidineSpermidineME234050----
spermineSpermineME234051----
sphinganineSphinganineME234347----
sphingomyelin (d18:1/14:0, d16:1/16:0)SM 32:1;O2ME234348----
sphingomyelin (d18:1/15:0, d16:1/17:0)SM 33:1;O2ME234349----
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME234350----
sphingomyelin (d18:1/20:0, d16:1/22:0)SM 38:1;O2ME234351----
sphingomyelin (d18:1/24:1, d18:2/24:0)SM 42:2;O2ME234352----
sphingomyelin (d18:2/16:0, d18:1/16:1)SM 34:2;O2ME234353----
sphingomyelin (d18:2/24:1, d18:1/24:2)SM 42:3;O2ME234354----
sphingosineSphingosineME234355----
stachydrineStachydrineME234533----
stearate (18:0)Stearic acidME234356----
stearidonate (18:4n3)Stearidonic acidME234357----
stearoylcarnitineCAR 18:0ME234360----
stearoyl ethanolamideStearoyl-EAME234358----
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME234359----
stigmasterolStigmasterolME234361----
suberate (octanedioate)Suberic acidME234362----
suberoylcarnitineCAR DC8:0ME234363----
succinateSuccinic acidME234137----
succinimideSuccinimideME234534----
succinylcarnitineCAR DC4:0ME234138----
sucroseSucroseME234096----
sulfate-ME234535----
syringic acidSyringic acidME234536----
tartarateTartaric acidME234537----
tartronate (hydroxymalonate)Hydroxypropanedioic acidME234538----
taurineTaurineME234052----
tauro-alpha-muricholateTauro-alpha-muricholic acidME234364----
tauro-beta-muricholateTauro-beta-muricholic acidME234365----
taurochenodeoxycholateTaurochenodeoxycholic acidME234366----
taurochenodeoxycholate sulfate-ME234367----
taurocholateTaurocholic acidME234368----
taurocholenate sulfateTaurocholenate sulfateME234369----
taurohyodeoxycholic acidTaurohyodeoxycholic acidME234370----
tauroursodeoxycholateTauroursodeoxycholic acidME234371----
tetradecanedioateTetradecanedioic acidME234372----
thiamin (Vitamin B1)ThiamineME234125----
thioprolineThioprolineME234053----
threonateThreonic acidME234126----
threonineThreonineME234054----
threonylphenylalanineThr-PheME234458----
thymidineThymidineME234418----
thymidine 5'-monophosphateTMPME234419----
thymineThymineME234420----
trans-4-hydroxyprolinetrans-4-HydroxyprolineME234055----
trans-urocanateUrocanic acidME234056----
tricarballylate1,2,3-Propanetricarboxylic acidME234139----
tricosanoyl sphingomyelin (d18:1/23:0)SM 18:1;O2/23:0ME234373----
trigonelline (N'-methylnicotinate)TrigonellineME234127----
trimethylamine N-oxideTrimethylamine N-oxideME234374----
tryptamineTryptamineME234057----
tryptophanTryptophanME234058----
tryptophylglycineTrp-GlyME234459----
tyramineTyramineME234059----
tyrosineTyrosineME234060----
tyrosylglycineTyr-GlyME234460----
undecanedioateUndecanedioic acidME234375----
uracilUracilME234421----
urateUric acidME234422----
ureaUreaME234061----
uridineUridineME234423----
valerateValeric acidME234376----
valineValineME234062----
valylglutamineVal-GlnME234461----
valylglycineVal-GlyME234462----
valylleucineVal-LeuME234463----
vanillin sulfate-ME234539----
xanthineXanthineME234424----
xanthosineXanthosineME234425----
xanthurenateXanthurenic acidME234063----
xyloseXyloseME234097----


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