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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-undecenoate (11:1n1)10-Hendecenoic acidME240277----
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME240275----
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME240507----
1,2-propanediol1,2-PropanediolME240270----
docosatrienoate (22:3n3)13,16,19-Docosatrienoic acidME240516----
1,3,7-trimethylurate1,3,7-Trimethyluric acidME240271----
1,3-dimethylurate1,3-Dimethyluric acidME240272----
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME240512----
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME240273----
15-methylpalmitate (isobar with 2-methylpalmitate)15-Methylpalmitic acidME240280----
1,7-dimethylurate1,7-Dimethyluric acidME240274----
3-formylindole1H-Indole-3-carboxaldehydeME240784----
3-formylindole*1H-Indole-3-carboxaldehydeME240785----
N1-methyladenosine1-MethyladenosineME240627----
N1-methylguanosine1-MethylguanosineME240628----
1-methylhistidine1-MethylhistidineME240306----
1-methylurate1-Methyluric acidME240307----
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME240328----
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME240780----
2-aminobutyrate2-Aminobutyric acidME240330----
2-aminooctanoate2-Aminocaprylic acidME240332----
2-aminoheptanoate2-Aminoheptanoic acidME240331----
2-aminophenol sulfate2-Aminophenyl sulfateME240333----
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME240373----
N-(2-furoyl)glycine2-FuroylglycineME240625----
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME240447----
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME240342----
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME240343----
2-hydroxybutyrate (AHB)2-Hydroxybutyric acidME240344----
2-hydroxydecanoate2-Hydroxycapric acidME240345----
2-hydroxyglutarate2-Hydroxyglutaric acidME240346----
alpha-hydroxycaproate2-Hydroxyhexanoic acidME240445----
2-hydroxyisobutyrate2-Hydroxyisobutyric acidME240348----
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME240446----
2-hydroxyoctanoate2-Hydroxyoctanoic acidME240349----
2-hydroxypalmitate2-Hydroxypalmitic acidME240350----
2-hydroxystearate2-Hydroxystearic acidME240351----
2-isopropylmalate2-Isopropylmalic acidME240352----
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME240356----
2'-O-methyluridine2'-O-MethyluridineME240781----
2-oxoarginine*2-OxoarginineME240782----
alpha-ketoglutarate2-Oxoglutaric acidME240448----
2-piperidinone2-PiperidinoneME240365----
3-[3-(sulfooxy)phenyl]propanoic acid*3-(3-Sulfooxyphenyl)propanoic acidME240370----
adenosine 3',5'-cyclic monophosphate (cAMP)3',5' cyclic AMPME240437----
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME240281----
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME240371----
deoxycarnitine3-DehydroxycarnitineME240505----
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME240374----
3-hydroxydecanoate3-Hydroxydecanoic acidME240375----
3-hydroxyhippurate3-Hydroxyhippuric acidME240376----
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME240377----
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME240463----
3-hydroxyoctanoate3-Hydroxyoctanoic acidME240378----
indolepropionate3-Indolepropionic acidME240590----
3-methoxytyramine sulfate3-Methoxytyramine sulfateME240381----
3-methoxytyrosine3-MethoxytyrosineME240382----
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME240385----
3-methylhistidine3-MethylhistidineME240387----
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME240369----
cysteine sulfinic acid3-Sulfino-alanineME240499----
4-acetamidobutanoate4-Acetamidobutanoic acidME240390----
4-acetylphenol sulfate4-Acetylphenyl sulfateME240393----
4-allylphenol sulfate4-Allylphenol sulfateME240394----
4-androsten-3beta,17beta-diol disulfate (1)4-Androsten-3beta,17beta-diol disulfateME240397----
4-androsten-3beta,17beta-diol disulfate (2)4-Androsten-3beta,17beta-diol disulfateME240398----
4-ethylphenylsulfate4-EthylphenolME240401----
4-guanidinobutanoate4-Guanidinobutanoic acidME240402----
4-hydroxyhippurate4-Hydroxyhippuric acidME240403----
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME240404----
4-vinylphenol sulfate4-HydroxystyreneME240408----
pyridoxate4-Pyridoxic acidME240706----
5,6-dihydrouridine5,6-DihydrouridineME240789----
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME240411----
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME240412----
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME240415----
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME240417----
andro steroid monosulfate (1)*5alpha-Androstane-3alpha-ol-17-one sulfateME240450----
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME240451----
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME240420----
5-dodecenoate (12:1n7)5-Dodecenoic acidME240422----
5-hydroxyhexanoate5-Hydroxycaproic acidME240423----
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME240424----
5-methylthioadenosine (MTA)5'-MethylthioadenosineME240425----
6-bromotryptophan6-BromotryptophanME240791----
6-oxopiperidine-2-carboxylic acid6-oxopiperidine-2-carboxylic acidME240428----
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME240429----
7-methylguanine7-MethylguanineME240430----
7-methylurate7-Methyluric acidME240431----
7-methylxanthine7-MethylxanthineME240432----
4-acetamidophenolAcetaminophenME240391----
acetoacetateAcetoacetic acidME240433----
acisogaAcisogaME240435----
adenosineAdenosineME240436----
adrenate (22:4n6)Adrenic acidME240439----
alanylleucineAla-LeuME240442----
alanineAlanineME240441----
allantoinAllantoinME240443----
allo-isoleucineAlloisoleucineME240444----
2-aminoadipatealpha-Aminoadipic acidME240329----
2-ethylhexanoatealpha-Ethylcaproic acidME240340----
phenylacetylglutaminealpha-N-PhenylacetylglutamineME240685----
alpha-tocopherolalpha-TocopherolME240449----
adenosine 5'-monophosphate (AMP)AMPME240438----
androsterone glucuronideAndrosterone 3-glucuronideME240792----
etiocholanolone glucuronideAndrosterone 3-glucuronideME240527----
arabonateArabinonic acidME240453----
arabinoseArabinoseME240452----
arachidate (20:0)Arachidic acidME240454----
arachidonate (20:4n6)Arachidonic acidME240455----
arginineArginineME240456----
argininateArgininic acidME240793----
asparagineAsparagineME240457----
aspartateAspartic acidME240458----
aspartylleucineAsp-LeuME240459----
azelate (nonanedioate)Azelaic acidME240460----
benzoateBenzoic acidME240461----
beta-alaninebeta-AlanineME240462----
betaineBetaineME240465----
bilirubin (E,E)*BilirubinME240466----
bilirubin (Z,Z)BilirubinME240467----
biliverdinBiliverdinME240468----
biotinBiotinME240469----
bradykinin, des-arg(9)BradykininME240470----
bradykinin, hydroxy-pro(3)Bradykinin hydroxyprolineME240471----
caffeineCaffeineME240473----
caprate (10:0)Capric acidME240474----
caproate (6:0)Caproic acidME240475----
caprylate (8:0)Caprylic acidME240476----
decanoylcarnitineCAR 10:0ME240503----
cis-4-decenoyl carnitineCAR 10:1ME240485----
laurylcarnitine*CAR 12:0ME240604----
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME240790----
myristoylcarnitineCAR 14:0ME240624----
myristoleoylcarnitine*CAR 14:1ME240798----
palmitoylcarnitineCAR 16:0ME240676----
stearoylcarnitineCAR 18:0ME240730----
oleoylcarnitineCAR 18:1ME240666----
linoleoylcarnitine*CAR 18:2ME240610----
acetylcarnitineCAR 2:0ME240434----
propionylcarnitineCAR 3:0ME240704----
isobutyrylcarnitineCAR 3:0;2MeME240593----
butyrylcarnitineCAR 4:0ME240472----
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME240357----
isovalerylcarnitineCAR 4:0;3MeME240599----
3-hydroxybutyrylcarnitine (2)CAR 4:0;3OHME240787----
hydroxybutyrylcarnitine*CAR 4:0;OHME240582----
tiglyl carnitineCAR 4:1;2MeME240755----
glutarylcarnitine (C5)CAR 5:0ME240548----
valerylcarnitineCAR 5:0ME240767----
hexanoylcarnitineCAR 6:0ME240572----
octanoylcarnitineCAR 8:0ME240663----
succinylcarnitineCAR DC4:0ME240733----
3-methylglutarylcarnitine (1)CAR DC5:0;3MeME240386----
carnitineCarnitineME240477----
catechol sulfateCatechol sulfateME240478----
C-glycosyltryptophan*C-GlycosyltryptophanME240479----
chenodeoxycholateChenodeoxycholic acidME240480----
cholesterolCholesterolME240482----
cholateCholic acidME240481----
cholineCholineME240483----
cinnamoylglycineCinnamoylglycineME240484----
eicosenoate (20:1n9 or 11)cis-Gondoic acidME240520----
cis-vaccenate (18:1n7)cis-Vaccenic acidME240486----
citrateCitric acidME240487----
citrullineCitrullineME240488----
corticosteroneCorticosteroneME240489----
cortisolCortisolME240490----
cortisoneCortisoneME240491----
cotinineCotinineME240492----
creatineCreatineME240493----
creatinineCreatinineME240494----
cyclo(leu-pro)Cyclo(-Leu-Pro)ME240495----
cys-gly, oxidizedCYS-GLY, oxidizedME240497----
cysteineCysteineME240498----
cystineCystineME240501----
cytidineCytidineME240502----
dehydroisoandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME240504----
deoxycholateDeoxycholic acidME240506----
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME240508----
dihydroferulic acidDihydroferulic acidME240509----
5,6-dihydrothymineDihydrothymineME240409----
5,6-dihydrouracilDihydrouracilME240410----
dimethylarginine (SDMA + ADMA)DimethylarginineME240511----
dimethyl sulfoneDimethyl sulfoneME240510----
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME240515----
dodecanedioateDodecanedioic acidME240517----
docosapentaenoate (n3 DPA; 22:5n3)DPAME240514----
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME240519----
epiandrosterone sulfateEpiandrosteroneME240521----
erythritolErythritolME240522----
erythronate*Erythronic acidME240523----
estrone 3-sulfateEstrone 3-sulfateME240524----
ethanolamineEthanolamineME240525----
ethyl glucuronideEthyl glucuronideME240526----
mead acid (20:3n9)ETrE(5Z,8Z,11Z)ME240617----
ferulic acid 4-sulfateFerulic acid 4-sulfateME240528----
folateFolic acidME240529----
fructoseFructoseME240530----
fumarateFumaric acidME240531----
gamma-CEHCgamma-CEHCME240532----
gamma-glutamylalaninegamma-GlutamylalanineME240534----
gamma-glutamylglutaminegamma-GlutamylglutamineME240535----
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME240536----
gamma-glutamylleucinegamma-GlutamylleucineME240537----
gamma-glutamyllysinegamma-GlutamyllysineME240538----
gamma-glutamylmethioninegamma-GlutamylmethionineME240539----
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME240540----
gamma-glutamyltyrosinegamma-GlutamyltyrosineME240541----
gamma-glutamylvalinegamma-GlutamylvalineME240542----
glutamine-leucineGln-LeuME240547----
gluconateGluconic acidME240543----
glucoseGlucoseME240544----
glutamateGlutamic acidME240545----
glutamineGlutamineME240546----
glycerateGlyceric acidME240549----
glycerolGlycerolME240550----
glycineGlycineME240554----
glycochenodeoxycholateGlycochenodeoxycholic acidME240555----
glycocholenate sulfate*Glycocholenate sulfateME240557----
glycocholateGlycocholic acidME240556----
glycodeoxycholate sulfateGlycodeoxycholate sulfateME240794----
glycodeoxycholateGlycodeoxycholic acidME240558----
glycohyocholateGlycohyocholic acidME240559----
glycolate (hydroxyacetate)Glycolic acidME240560----
glycoursodeoxycholateGlycoursodeoxycholic acidME240562----
glycylleucineGly-LeuME240563----
glycylphenylalanineGly-PheME240564----
guanidinoacetateGuanidoacetic acidME240565----
guanineGuanineME240566----
guanosineGuanosineME240567----
hemeHemeME240568----
heptanoate (7:0)Heptylic acidME240570----
hexadecanedioateHexadecanedioic acidME240571----
hexanoylglutamineHexanoylglutamineME240795----
hippurateHippuric acidME240573----
histidineHistidineME240574----
13-HODE + 9-HODEHODEME240278----
homocitrullineHomocitrullineME240575----
homocysteineHomocysteineME240576----
hydantoin-5-propionic acidHydantoin-5-propionic acidME240580----
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME240388----
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME240368----
tartronate (hydroxymalonate)Hydroxypropanedioic acidME240737----
3-hydroxypropanoateHydroxypropionic acidME240379----
beta-hydroxypyruvateHydroxypyruvic acidME240464----
hypoxanthineHypoxanthineME240584----
isoleucylleucineIle-LeuME240596----
isoleucylvalineIle-ValME240597----
4-imidazoleacetateImidazoleacetic acidME240405----
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME240779----
imidazole lactateImidazolelactic acidME240585----
indole-3-carboxylic acidIndole-3-carboxylic acidME240586----
methyl indole-3-acetateIndole-3-methyl acetateME240620----
indoleacetateIndoleacetic acidME240587----
indoleacetylglutamineIndoleacetyl glutamineME240588----
indolelactateIndolelactic acidME240589----
3-indoxyl sulfateIndoxyl sulfateME240380----
inosineInosineME240591----
inositol 1-phosphate (I1P)Inositol 3-phosphateME240592----
isobutyrylglycineIsobutyrylglycineME240594----
isoleucineIsoleucineME240595----
13-methylmyristic acidIsopentadecylic acidME240279----
isovalerateIsovaleric acidME240598----
16-hydroxypalmitateJuniperic acidME240282----
3-methyl-2-oxobutyrateKetoisovaleric acidME240384----
4-methyl-2-oxopentanoateKetoleucineME240406----
kynurenateKynurenic acidME240600----
kynurenineKynurenineME240601----
lactateLactic acidME240602----
laurate (12:0)Lauric acidME240603----
tryptophan betaineLenticinME240759----
leucineLeucineME240605----
leucylleucineLeu-LeuME240606----
linoleate (18:2n6)Linoleic acidME240607----
1-palmitoylglycerophosphateLPA 16:0ME240318----
2-palmitoylglycerophosphocholine*LPC 0:0/16:0ME240363----
1-myristoylglycerophosphocholine (14:0)LPC 14:0ME240308----
2-myristoylglycerophosphocholine*LPC 14:0ME240358----
1-pentadecanoylglycerophosphocholine (15:0)*LPC 15:0ME240324----
1-palmitoylglycerophosphocholine (16:0)LPC 16:0ME240319----
1-palmitoleoylglycerophosphocholine (16:1)*LPC 16:1ME240316----
2-palmitoleoylglycerophosphocholine*LPC 16:1ME240362----
1-margaroylglycerophosphocholine (17:0)LPC 17:0ME240304----
1-stearoylglycerophosphocholine (18:0)LPC 18:0ME240325----
2-stearoylglycerophosphocholine*LPC 18:0ME240366----
1-oleoylglycerophosphocholine (18:1)*LPC 18:1ME240311----
2-oleoylglycerophosphocholine*LPC 18:1ME240360----
1-linoleoylglycerophosphocholine (18:2n6)LPC 18:2ME240301----
2-linoleoylglycerophosphocholine*LPC 18:2ME240354----
1-linolenoylglycerophosphocholine (18:3n3)*LPC 18:3ME240299----
2-linolenoylglycerophosphocholine(18:3n3)*LPC 18:3ME240353----
1-nonadecanoylglycerophosphocholine(19:0)LPC 19:0ME240309----
1-arachidoylglycerophosphocholine (20:0)LPC 20:0ME240288----
1-eicosenoylglycerophosphocholine (20:1n9)*LPC 20:1ME240298----
1-eicosatrienoylglycerophosphocholine (20:3)*LPC 20:3ME240296----
2-eicosatrienoylglycerophosphocholine*LPC 20:3ME240339----
1-arachidonoylglycerophosphocholine (20:4n6)*LPC 20:4ME240284----
2-arachidonoylglycerophosphocholine*LPC 20:4ME240334----
1-eicosapentaenoylglycerophosphocholine (20:5n3)*LPC 20:5ME240294----
2-docosapentaenoylglycerophosphocholine (22:5n3)*LPC 22:5ME240338----
1-docosahexaenoylglycerophosphocholine (22:6n3)*LPC 22:6ME240290----
2-docosahexaenoylglycerophosphocholine*LPC 22:6ME240336----
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME240513----
1-palmitoylglycerophosphoethanolamineLPE 16:0ME240320----
2-palmitoylglycerophosphoethanolamine*LPE 16:0ME240364----
2-stearoylglycerophosphoethanolamine*LPE 18:0ME240367----
1-stearoylglycerophosphoethanolamineLPE 18:0/0:0ME240326----
1-oleoylglycerophosphoethanolamineLPE 18:1ME240312----
2-oleoylglycerophosphoethanolamine*LPE 18:1ME240361----
1-linoleoylglycerophosphoethanolamine*LPE 18:2ME240302----
2-linoleoylglycerophosphoethanolamine*LPE 18:2ME240355----
1-eicosatrienoylglycerophosphoethanolamine*LPE 20:3ME240297----
1-arachidonoylglycerophosphoethanolamine*LPE 20:4ME240285----
2-arachidonoylglycerophosphoethanolamine*LPE 20:4ME240335----
1-eicosapentaenoylglycerophosphoethanolamine*LPE 20:5ME240295----
1-docosahexaenoylglycerophosphoethanolamine*LPE 22:6ME240291----
2-docosahexaenoylglycerophosphoethanolamine*LPE 22:6ME240337----
1-palmitoylplasmenylethanolamine*LPE P-16:0 or LPE O-16:1ME240323----
1-oleoylplasmenylethanolamine*LPE P-18:1 or LPE O-18:2ME240315----
1-palmitoylglycerophosphoglycerol*LPG 16:0ME240321----
1-oleoylglycerophosphoglycerol*LPG 18:1ME240313----
1-palmitoylglycerophosphoinositol*LPI 16:0ME240322----
1-stearoylglycerophosphoinositolLPI 18:0/0:0ME240327----
1-oleoylglycerophosphoinositol*LPI 18:1ME240314----
1-linoleoylglycerophosphoinositol*LPI 18:2ME240303----
1-arachidonoylglycerophosphoinositol*LPI 20:4ME240286----
ribuloseL-RibuloseME240715----
L-urobilinL-UrobilinME240611----
lysineLysineME240612----
malateMalic acidME240613----
mannitolMannitolME240614----
mannoseMannoseME240615----
margarate (17:0)Margaric acidME240616----
methionineMethionineME240618----
S-methylcysteineMethylcysteineME240721----
methyl glucopyranoside (alpha + beta)Methyl glucoseME240619----
2-oleoylglycerol (2-monoolein)MG 0:0/18:1(9Z)/0:0ME240359----
1-palmitoylglycerol (1-monopalmitin)MG 16:0/0:0/0:0ME240317----
1-oleoylglycerol (1-monoolein)MG 18:1ME240310----
1-linoleoylglycerol (1-monolinolein)MG 18:2ME240300----
myo-inositolMyo-inositolME240621----
myristate (14:0)Myristic acidME240622----
myristoleate (14:1n5)Myristoleic acidME240623----
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME240626----
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME240629----
N4-acetylcytidineN4-AcetylcytidineME240630----
N-delta-acetylornithineN(5)-Acetyl-ornithineME240653----
theanineN(5)-Ethyl-glutamineME240746----
N6-acetyllysineN6-AcetyllysineME240631----
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME240632----
N-6-trimethyllysineN-6-TrimethyllysineME240633----
N-acetylalanineN-AcetylalanineME240634----
N-acetylalliinN-AcetylalliinME240635----
N-acetylarginineN-AcetylarginineME240636----
N-acetylaspartate (NAA)N-Acetylaspartic acidME240637----
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME240638----
N-acetyl-beta-alanineN-Acetyl-beta-alanineME240639----
N-acetylcarnosineN-AcetylcarnosineME240640----
N-acetylglutamateN-Acetylglutamic acidME240641----
N-acetylglutamineN-AcetylglutamineME240642----
N-acetylglycineN-AcetylglycineME240643----
N-acetylhistidineN-AcetylhistidineME240644----
N-acetylisoleucineN-AcetylisoleucineME240645----
N-acetylleucineN-AcetylleucineME240646----
N-acetylmethionineN-AcetylmethionineME240647----
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME240648----
N-acetylphenylalanineN-AcetylphenylalanineME240649----
N-acetylthreonineN-AcetylthreonineME240650----
N-acetyltryptophanN-Acetyl-tryptophanME240651----
N-acetyltyrosineN-AcetyltyrosineME240652----
N-formylmethionineN-FormylmethionineME240654----
nicotinamideNiacinamideME240655----
N-methyl prolineN-Methyl-prolineME240656----
N-oleoyltaurineN-Oleoyl taurineME240657----
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME240276----
nonadecanoate (19:0)Nonadecylic acidME240658----
N-palmitoyl glycineN-Palmitoyl glycineME240659----
N-palmitoyltaurineN-Palmitoyl taurineME240660----
o-cresol sulfateo-Cresol sulfateME240661----
octadecanedioateOctadecanedioic acidME240662----
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME240609----
oleate (18:1n9)Oleic acidME240664----
oleic ethanolamideOleoyl-EAME240665----
ornithineOrnithineME240668----
p-acetamidophenylglucuronidep-AcetamidophenylglucuronideME240670----
palmitate (16:0)Palmitic acidME240671----
palmitoleate (16:1n7)Palmitoleic acidME240673----
palmitoyl ethanolamidePalmitoyl-EAME240674----
p-aminobenzoate (PABA)p-Aminobenzoic acidME240677----
pantothenatePantothenic acidME240678----
4-acetaminophen sulfateParacetamol sulfateME240392----
paraxanthineParaxanthineME240679----
p-cresol sulfatep-Cresol sulfateME240680----
penicillin GPenicillin GME240681----
pentadecanoate (15:0)Pentadecylic acidME240682----
phenylalanylargininePhe-ArgME240688----
phenylalanylleucinePhe-LeuME240689----
phenol redPhenolsulfonphthaleinME240683----
phenylacetylglycinePhenylacetylglycineME240686----
phenylalaninePhenylalanineME240687----
phenol sulfatePhenyl hydrogen sulfateME240684----
phenyllactate (PLA)Phenyllactic acidME240693----
phenylpyruvatePhenylpyruvic acidME240694----
phenylalanylphenylalaninePhe-PheME240690----
phenylalanyltryptophanPhe-TrpME240691----
phosphatePhosphoric acidME240695----
pipecolatePipecolic acidME240696----
piperinePiperineME240697----
pregnanediol-3-glucuronidePregnanediol-3-glucuronideME240699----
pregnenolone sulfatePregnenolone sulfateME240701----
pregn steroid monosulfate*Pregnenolone sulfateME240698----
pro-hydroxy-proPro-hydroxyProME240702----
prolineProlineME240703----
pseudouridinePseudouridineME240705----
pyridoxine (Vitamin B6)PyridoxineME240707----
5-oxoprolinePyroglutamic acidME240427----
pyroglutamine*PyroglutamineME240708----
pyruvatePyruvic acidME240710----
quinateQuinic acidME240711----
quinineQuinineME240712----
hydroquinone sulfateQuinol sulfateME240581----
riboflavin (Vitamin B2)RiboflavinME240713----
riboseRiboseME240714----
5-methyluridine (ribothymidine)RibothymidineME240426----
saccharinSaccharinME240716----
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME240717----
salicylateSalicylic acidME240718----
2-hydroxyhippurate (salicylurate)Salicyluric acidME240347----
salicyluric glucuronide*Salicyluric glucuronideME240719----
serineSerineME240720----
cysteine-glutathione disulfideS-Glutathionyl-cysteineME240500----
homostachydrine*(S)-HomostachydrineME240577----
palmitoyl sphingomyelinSM 18:1;O2/16:0ME240675----
stearoyl sphingomyelinSM 18:1;O2/18:0ME240729----
glycerol 2-phosphatesn-Glycero-2-phosphateME240551----
glycerol 3-phosphate (G3P)sn-Glycero-3-phosphateME240552----
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME240553----
sorbitolSorbitolME240722----
sphinganineSphinganineME240723----
sphingosineSphingosineME240724----
sphingosine 1-phosphateSphingosine 1-phosphateME240725----
stachydrineStachydrineME240726----
stearate (18:0)Stearic acidME240727----
stearidonate (18:4n3)Stearidonic acidME240728----
streptomycinStreptomycinME240731----
succinateSuccinic acidME240732----
sucroseSucroseME240734----
sulfate*SulfateME240735----
glycolithocholate sulfate*Sulfoglycolithocholic acidME240561----
O-sulfo-L-tyrosineSulfotyrosineME240669----
tartarateTartaric acidME240736----
taurineTaurineME240738----
tauro-beta-muricholateTauro-beta-muricholic acidME240739----
taurochenodeoxycholateTaurochenodeoxycholic acidME240740----
taurocholenate sulfateTaurocholenate sulfateME240742----
taurocholateTaurocholic acidME240741----
taurodeoxycholateTaurodeoxycholic acidME240743----
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME240744----
tetradecadienoate (14:2)*Tetradecadienoic acidME240802----
tetradecanedioateTetradecanedioic acidME240745----
theobromineTheobromineME240747----
theophyllineTheophyllineME240748----
thiamin (Vitamin B1)ThiamineME240749----
thioprolineThioprolineME240803----
threitolThreitolME240750----
threonateThreonic acidME240751----
threonineThreonineME240752----
thyroxineThyroxineME240754----
hydroxycotininetrans-3-HydroxycotinineME240583----
trans-4-hydroxyprolinetrans-4-HydroxyprolineME240756----
trigonelline (N'-methylnicotinate)TrigonellineME240757----
tryptophanTryptophanME240758----
tyrosineTyrosineME240760----
undecanedioateUndecanedioic acidME240761----
uracilUracilME240762----
ureaUreaME240764----
3-ureidopropionateUreidopropionic acidME240389----
urateUric acidME240763----
uridineUridineME240765----
ursodeoxycholateUrsodeoxycholic acidME240766----
valineValineME240768----
valylleucineVal-LeuME240769----
vanillylmandelate (VMA)Vanillylmandelic acidME240770----
xanthineXanthineME240771----
xanthosineXanthosineME240772----
17-methylstearateXi-17-Methyloctadecanoic acidME240283----
xylitolXylitolME240773----
xylonateXylonic acidME240774----
xyloseXyloseME240775----
1-(14 or 15-methyl)palmitoyl-GPC (a17:0 or i17:0)*-ME240778----
1-arachidonoylglyercophosphate-ME240287----
1-dihomo-linoleoylglycerophosphocholine (20:2n6)*-ME240289----
1-docosapentaenoylglycerophosphocholine (22:5n3)*-ME240292----
1-docosapentaenoylglycerophosphocholine (22:5n6)*-ME240293----
1-methyl-2-piperidinecarboxylic acid-ME240305----
2-ethylphenylsulfate-ME240341----
3,4-methylene heptanoyl carnitine-ME240783----
3-CMPFP**-ME240776----
3-ethylphenylsulfate-ME240372----
3-hydroxybutyroylglycine**-ME240786----
3-methyl catechol sulfate (1)-ME240383----
3-S-cysteinyl-2-methylpropanoate*-ME240788----
4-androsten-3alpha,17alpha-diol monosulfate (2)-ME240395----
4-androsten-3alpha,17alpha-diol monosulfate (3)-ME240396----
4-androsten-3beta,17beta-diol monosulfate (1)-ME240399----
4-androsten-3beta,17beta-diol monosulfate (2)-ME240400----
4-methylcatechol sulfate-ME240407----
5alpha-androstan-3alpha,17alpha-diol monosulfate-ME240414----
5alpha-androstan-3alpha, 17beta-diol-17-glucosidur...-ME240413----
5alpha-androstan-3alpha,17beta-diol monosulfate (2...-ME240416----
5alpha-androstan-3beta,17beta-diol disulfate-ME240418----
5alpha-pregnan-3(alpha or beta),20beta-diol disulf...-ME240419----
5alpha-pregnan-3beta,20alpha-diol monsulfate (2)-ME240421----
ADSGEGDFXAEGGGVR*-ME240440----
cyclo(L-phe-L-pro)-ME240496----
DSGEGDFXAEGGGVR*-ME240518----
gamma-CEHC glucuronide*-ME240533----
HEPES-ME240569----
HWESASLLR-ME240578----
HWESASXX*-ME240579----
hydroxy-CMPF-ME240777----
hydroxy-CMPF*-ME240796----
linoleate, methyl ester-ME240608----
methylnaphthyl sulfate (2)*-ME240797----
N-acetyl-2-aminoctanoate-ME240799----
N-acetyl-isoputrenine*-ME240800----
O-methylcatechol sulfate-ME240667----
palmitate, methyl ester-ME240672----
phenylcarnitine*-ME240692----
pregnen-diol disulfate*-ME240700----
pyroglutamylglutamine-ME240709----
pyroglutamylproline*-ME240801----
thymol sulfate-ME240753----
valine ion-ME240804----


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