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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME38640275810C058282064-
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME3864036451814-1989-
1-methyladenosine1-MethyladenosineME38658027476C024942120-
1-methylguanidineMethylguanidineME38640410111C022942149-
1-methylnicotinamide1-Methyl nicotinamideME386405457C029181940-
1-methylurate1-Methyluric acidME38640669726C163591461-
1-methylxanthine1-MethylxanthineME38640780220C163581500-
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME3864085117448C051312006-
2,3-dihydroxypyridine2,3-DihydroxypyridineME38641028115-1420-
2-aminobutyrate2-Aminobutyric acidME386411439691C022612059-
2-aminoheptanoate2-Aminoheptanoic acidME386412227939-3160-
(2-butoxyethoxy)acetic acid-ME386398106312-3177-
2-furoylcarnitine-ME386413--2672-
2-hydroxyglutarate2-Hydroxyglutaric acidME38641443C02630958-
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME3864156426901-3050-
2'-O-methylcytidine2'-O-MethylcytidineME386409150971-2411-
2-oxoarginine*2-OxoarginineME386416558C037711760-
2-piperidinone2-PiperidinoneME38641712665-1675-
2-pyrrolidinone2-PyrrolidinoneME38641812025-1262-
3-amino-2-piperidone3-Amino-2-piperidoneME3864205200225-2065-
3-aminoisobutyrate3-Aminoisobutanoic acidME38642164956C051452190-
3-(cystein-S-yl)acetaminophen*3-(Cystein-S-yl)acetaminophenME3864195233914-2420-
3-hydroxyhexanoylcarnitine (1)CAR 6:0;3OHME386422--2918-
3-hydroxypyridine glucuronide-ME386423--1657-
3-hydroxystachydrine*3-HydroxystachydrineME386424442640-1049-
3-methoxytyrosine3-MethoxytyrosineME3864251670-2555-
3-methylcrotonylglycine3-MethylcrotonylglycineME386426169485-1980-
3-methylcytidine3-MethylcytidineME386427159649-2176-
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME386428128145-2687-
3-phosphoglycerate3-Phosphoglyceric acidME386429724C00597590-
3-ureidopropionateUreidopropionic acidME386430111C02642875-
4-acetamidophenolAcetaminophenME3864311983C068041670-
4-guanidinobutanoate4-Guanidinobutanoic acidME386432500C010352320-
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME386433439902C030791141-
4-hydroxyphenylacetatoylcarnitine-ME386434--2730-
4-imidazoleacetateImidazoleacetic acidME38643596215C028352055-
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME386436123986-2755-
5-hydroxylysine5-HydroxylysineME3864371029C167412790-
5-hydroxymethyl-2-furoylcarnitine*-ME386438--2471-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME386439439176C001702752-
5-methylthioribose5-MethylthioriboseME386440494-790-
7-methylxanthine7-MethylxanthineME38644168374C163531350-
8-methoxykynurenate-ME38644276230C058302574-
acetylcarnitine (C2)CAR 2:0ME3864431C025712282-
adenineAdenineME386444190C001472221-
adipoylcarnitine (C6-DC)CAR DC5:0ME38644671296139-2570-
alanineAlanineME3864475950C000411700-
alliinAlliinME38644887310C082651470-
alpha-hydroxymetoprololalpha-HydroxymetoprololME386449114962-2900-
AMPAMPME3864456083C000201013-
anserineAnserineME386450112072C012622924-
anthranilate2-Aminobenzoic acidME386451227C001082606-
argininate*Argininic acidME386452160437-2150-
arginineArginineME386453232C000622825-
ascorbate (Vitamin C)Vitamin CME38645454670067C00072770-
asparagineAsparagineME3864556267C001521225-
aspartateAspartic acidME3864565960C000491165-
atenololAtenololME3864572249D002352668-
BenazeprilatBenazeprilatME3864585463984D030773324-
benzoylcarnitine*BenzoylcarnitineME386459--3041-
benzoylecgonineBenzoyl ecgonineME386460442997C108473061-
beta-alaninebeta-AlanineME386461239C000991905-
beta-guanidinopropanoate3-Guanidinopropanoic acidME38646267701C030652145-
beta-hydroxyisovaleroylcarnitineCAR 4:0;OH,MeME386463--2584-
betaineBetaineME386464247C007191064-
betonicineBetonicineME386465164642C082691012-
butyrylcarnitine (C4)CAR 4:0ME386466439829C028622860-
caffeineCaffeineME3864672519C074812106-
carbamazepine 10,11-epoxide*-ME3864682555C074963125-
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME3864692572-2085-
carnitineCarnitineME38647010917C003181978-
carnosineCarnosineME386471439224C003862942-
cholineCholineME386472305C001141961-
citrullineCitrullineME3864749750C003271520-
cotinineCotinineME386475854019-2213-
cotinine N-oxideCotinine N-oxideME3864769815514-1377-
creatinineCreatinineME386477588C007912055-
cyclo(gly-pro)Cyclo(Gly-Pro)ME386478126154-1349-
cys-gly, oxidizedCYS-GLY, oxidizedME386479333293-2947-
cystathionineCystathionineME386480439258C022912270-
cysteineCysteineME3864815862C000971475-
cysteine-glutathione disulfideS-Glutathionyl-cysteineME3864824247235-2465-
cysteinylglycineCys-GlyME386483439498C014192132-
cysteinylglycine disulfide*Cysteinylglycine disulfideME386484--2547-
cystineCystineME38648567678C004912000-
cytosineCytosineME386486597C003802060-
deoxycarnitine3-DehydroxycarnitineME386487134C011812052-
dexpanthenolPantothenolME3864884678D037261740-
dimethylarginine (ADMA + SDMA)DimethylarginineME386490123831C036262850-
dimethylglycineDimethylglycineME386491673C010261104-
dimethylguanidino valeric acid (DMGV)*DMGVME386492--1891-
dimethyl sulfoneDimethyl sulfoneME3864896213C11142832-
doxycyclineDoxycyclineME386493--3350-
doxylamineDoxylamineME3864943162-3299-
ectoineEctoineME386495126041C062311980-
EDTAEdetic acidME3864966049C00284875-
formiminoglutamateFormiminoglutamic acidME386497439233C004391880-
fructosyllysineFructosyllysineME386498123708-2784-
gamma-carboxyglutamategamma-Carboxy-glutamic acidME38649940772-903-
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME386500--2380-
gamma-glutamylalaninegamma-GlutamylalanineME386502440103-1986-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME38650165254-2784-
gamma-glutamylcitrulline*-ME386503--1644-
gamma-glutamylglutamategamma-Glutamylglutamic acidME38650492865C052821775-
gamma-glutamylglutaminegamma-GlutamylglutamineME386505150914C052831430-
gamma-glutamylglycinegamma-GlutamylglycineME386506165527-1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME3865077017195-2740-
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME38650814253342-2940-
gamma-glutamylleucinegamma-GlutamylleucineME386509151023-2991-
gamma-glutamylmethioninegamma-GlutamylmethionineME3865107009567-2640-
gamma-glutamylthreoninegamma-GlutamylthreonineME38651176078708-1750-
gamma-glutamyltryptophangamma-GlutamyltryptophanME3865123989307-2975-
glutamateGlutamic acidME386513611C000251500-
glutamineGlutamineME3865145961C000641291-
glutarylcarnitine (C5-DC)CAR DC5:0ME38651571464488-2393-
glutathione, oxidized (GSSG)Oxidized glutathioneME38651665359C001272667-
glycerol 3-phosphatesn-Glycero-3-phosphateME386517754C00093580-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME386518123874C01233659-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME386519439964C03274520-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME38652071920C00670672-
glycineGlycineME386521750C000371375-
glycylleucineGly-LeuME38652292843C021553059-
guaifenesinGuaifenesinME3865233516D003372656-
guanidinosuccinateGuanidinosuccinic acidME38652497856C031391892-
hexanoylcarnitine (C6)CAR 6:0ME3865256426853-3358-
histidine betaine (hercynine)*HercynineME3865263083620-2094-
homoarginineHomoarginineME3865279085C019242882-
homostachydrine*(S)-HomostachydrineME386528441447C082831750-
hydroxyasparagineHydroxyasparagineME38653097663C031241149-
hydroxycotininetrans-3-HydroxycotinineME38653110219774-2030-
hydroxy-N6,N6,N6-trimethyllysine*-ME386529--2759-
hydroxyprolineHydroxyprolineME3866465810C011571064-
imidazole lactateImidazolelactic acidME386532793C055682040-
imidazole propionateImidazole propanoateME38653370630-2263-
iminodiacetate (IDA)IminodiacetateME3865348897C19911830-
indoleacetoylcarnitine*-ME386535--3114-
indolin-2-oneIndolin-2-oneME386536321710C123122575-
isobutyrylcarnitine (C4)CAR 3:0;2MeME386537168379-2810-
isoleucineIsoleucineME3865386306C004072800-
isovalerylcarnitine (C5)CAR 4:0;3MeME3865396426851-3085-
kynurenateKynurenic acidME3865403845C017172385-
lanthionineLanthionineME38654198504-1730-
leucineLeucineME3865426106-2864-
leucylalanineLeu-AlaME386543259321-2801-
leucylglycineLeu-GlyME38654479070-2778-
levetiracetamLevetiracetamME3865455284583D00709,C078411925-
levulinoylcarnitine-ME386546--2520-
lysineLysineME3865475962C000472850-
meprobamateMeprobamateME3865484064D003762994-
metforminMetforminME3865494091C071512817-
methamphetamineMethamphetamineME38655010836C071643202-
methionineMethionineME3865516137C000732526-
methionine sulfoneMethionine sulfoneME38655269961-1250-
methionine sulfoxideMethionine sulfoxideME386553158980C029891272-
methyl indole-3-acetateIndole-3-methyl acetateME38655474706-3380-
methylphosphateMethanolphosphateME38655513130-544-
methylsuccinoylcarnitine-ME386556--2589-
metoprololMetoprololME3865574171D023583312-
metoprolol acid metabolite*-ME38655862936-2950-
metronidazoleMetronidazoleME3865594173D004092046-
minocyclinMinocyclineME386560-D05045,C072253318-
N('1)-acetylspermidineN1-AcetylspermidineME386561496C006123075-
N1-methylinosine1-MethylinosineME38658165095-1430-
N2-acetyl,N6-methyllysineN2-Acetyl,N6-methyllysineME386584--2168-
N2-acetyl,N6,N6-dimethyllysineN2-Acetyl,N6,N6-dimethyllysineME386583--2172-
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME38658292919-2210-
N6-methyllysineN(6)-MethyllysineME386587164795C027282831-
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME386586193344C055452831-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME386585440120C037932825-
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME38656653859791-2100-
N-acetylalliinN-AcetylalliinME386568--1348-
N-acetylarginineN-AcetylarginineME38656967427C025622245-
N-acetylasparagineN-AcetylasparagineME38657099715-785-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME3865675255C122701035-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME386571--715-
N-acetylglucosaminylasparagineAspartylglycosamineME386572123826C045401212-
N-acetylglutamateN-Acetylglutamic acidME38657370914C006241050-
N-acetylhistamineN-AcetylhistamineME38657469602C051352287-
N-acetylneuraminateN-Acetylneuraminic acidME386575439197C00270660-
N-acetylprolineN-Acetyl-prolineME386576322640-1695-
N-acetylputrescineN-AcetylputrescineME386577122356C027142230-
N-acetyl sulfapyridineN4-AcetylsulfapyridineME38656558638-2146-
nicotinamideNiacinamideME386588936C001531942-
nicotinamide N-oxideNicotinamide N-oxideME38658972661-877-
nicotinateNicotinic acidME386590938C002531673-
nicotinate ribonucleosideD-RibosylnicotinateME386591161234C058411536-
nicotineNicotineME38659289594C007452883-
N-methylpipecolateN-methyl pipecolic acidME38657811286529-1932-
N-methylprolineN-Methyl-prolineME386579557-1335-
N,N-dimethyl-5-aminovalerateN,N-Dimethyl-5-aminovaleric acidME386563--2290-
N,N-dimethylalanineN,N-DimethylalanineME3865645488191-1370-
N,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-5-aminovalerateME38656214274897-2186-
norbenzoylecgonine*-ME38659374765378-3176-
norcotinineNorcotinineME386594413-2156-
O-desmethyltramadolO-DesmethyltramadolME386595130829-3045-
olanzapineOlanzapineME3865964585C073223394-
ornithineOrnithineME3865976262C000772800-
phenylacetylcarnitine-ME386598101724840-3092-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME38659992258C041482145-
phenylalaninePhenylalanineME3866006140C000792878-
phenylalanylalaninePhe-AlaME3866015488196-2909-
phenylalanylglycinePhe-GlyME38660298207-2898-
phenylpropanolaminePhenylpropanolamineME38660326934C079113034-
phosphatePhosphoric acidME3866041061C00009576-
phosphocholineCholine phosphateME3864731014C00588700-
phosphoethanolamine (PE)PhosphoethanolamineME3866051015C00346700-
picolinatePicolinic acidME3866061018C10164910-
picolinoylglycinePicolinoylglycineME38660711788622-1945-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME386608--2773-
pipecolatePipecolic acidME386609849C004082200-
pregabalinPregabalinME3866104715169-3123-
prolineProlineME386612145742C001481603-
prolylglycinePro-GlyME3866136426709-2136-
prolylhydroxyprolinePro-hydroxyProME38661111673055-2128-
propionylcarnitine (C3)CAR 3:0ME386614107738C030172590-
pseudoephedrinePseudoephedrineME3866157028C027653041-
pyridoxalPyridoxalME3866161050C002502343-
pyridoxine (Vitamin B6)PyridoxineME3866171054C003142442-
pyroglutamine*PyroglutamineME386618134508-1900-
quinineQuinineME3866192728270-3378-
quinolinateQuinolinic acidME3866201066C03722845-
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME38639953481617-2400-
ranitidineRanitidineME3866213001055D004222910-
ranitidine N-oxide*-ME3866223033888-2926-
ritalinic acidRitalinic acidME38662386863-3207-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME3866241196C043221528-
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME386400--2340-
(S)-a-amino-omega-caprolactamL-2-aminohexano-6-lactamME386401439823C053282378-
S-allylcysteineS-AllylcysteineME38662598280-2690-
sarcosineSarcosineME3866291088C002131280-
S-carboxyethylcysteine-ME386626--1785-
serineSerineME3866305951C000651239-
serotoninSerotoninME3866315202C007802550-
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME38662782142-900-
S-methylmethionineS-MethylmethionineME386628458C053192555-
spermidineSpermidineME3866321102C003153355-
stachydrineStachydrineME386633115244C101721440-
suberoylcarnitine (C8-DC)CAR DC8:0ME386634--2964-
succinylcarnitine (C4-DC)CAR DC4:0ME38663571464481-2291-
taurineTaurineME3866361123C00245660-
tetramisoleCAR 4:1;2MeME3866373913-2993-
theanineN(5)-Ethyl-glutamineME386638439378C010472180-
theobromineTheobromineME3866395429C074801600-
theophyllineTheophyllineME3866402153C071301870-
thioprolineThioprolineME38664193176-1250-
threonineThreonineME3866426288C001881514-
tigloylglycineTiglylglycineME3866436441567-1926-
tiglyl carnitine (C5)CAR 4:1;2MeME38664422833596-2962-
tramadolTramadolME38664533741C071533288-
triamtereneTriamtereneME3866475546D003863164-
trigonelline (N'-methylnicotinate)TrigonellineME3866485570C010041388-
trimethylamine N-oxideTrimethylamine N-oxideME3866491145C011042100-
trizma acetate2-Amino-2-methylol-propane-1,3-diolME3866506503C071821884-
tryptophan betaineLenticinME386651442106C092132673-
ureaUreaME3866521176C00086700-
valineValineME3866536287C001832479-
valylleucineVal-LeuME386654352039-3138-
zolpidemZolpidemME386655--3346-


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME386658--1566-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME386659--2154-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME386660--2270-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...PC P-16:0/18:2 or PC O-16:1/18:2ME386661--2226-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...PE P-16:0/18:2 or PE O-16:1/18:2ME386662--2351-
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1 or PC O-16:1/18:1ME386663--2443-
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*PE P-16:0/18:1 or PE O-16:1/18:1ME386664--2600-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...PC P-16:0/16:1 or PC O-16:1/16:1ME386665--2218-
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...PC P-16:0/16:0 or PC O-16:1/16:0ME38666611146967-2454-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*LPC P-16:0 or LPC O-16:1ME38666710917802-1547-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME386668--1558-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME3866699547058-2511-
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*PE P-18:0/18:2 or PE O-18:1/18:2ME386670--2633-
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME386671--2950-
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME386672--1649-
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME3866565288075-2006-
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME386657452110-2365-
1-arachidonoyl-GPC* (20:4)*LPC 20:4/0:0ME386673-C052081460-
1-arachidonoyl-GPE (20:4n6)*LPE 20:4/0:0ME38667442607465-1470-
1-cerotoyl-GPC (26:0)*LPC 26:0/0:0ME386675--1990-
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME386676--1907-
1-linolenoyl-GPC (18:3)*LPC 18:3ME386677--1410-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*PC 18:2/20:4ME386678--1969-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME386679--1939-
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME38668011988421C041001465-
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*PC 14:0/20:4ME386681--1914-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME386682129657-2147-
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*PE 18:1/20:4ME386683--2200-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*PC 18:1/22:6ME386684--2011-
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*PE 18:1/22:6ME386685--2119-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*PE 18:1/18:2ME3866869546753-2270-
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME38668716081932-1540-
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME3866889547071-1554-
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*PC 16:1_18:3ME386689--1850-
1-palmitoleoyl-GPC* (16:1)*LPC 16:1/0:0ME38669024779461-1450-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME38669110747814-2091-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*PE 16:0/20:4ME3866929546800-2198-
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...-ME386693--2199-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME3866946441886-2023-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*PE 16:0/22:6ME3866959546799-2119-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME3866965287971-2160-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME3866979546747-2275-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME386698--2730-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME3866996436017-2358-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME3867005283496-2509-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*PI 16:0/18:1ME386701--3140-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME386702--2160-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME386703--2653-
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME38670486554-1525-
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME3867059547069-1544-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME38670616219824-2300-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME3867075289133-2424-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME386708--3000-
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)PS 18:0/20:4ME386709--2565-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME386710--2197-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*PE 18:0/22:6ME3867119546798-2317-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME386712--2380-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*PE 18:0/18:2ME3867139546749-2522-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME386714--3185-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME386715--2644-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME386716--2858-
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*PI 18:0/18:1ME386717--3711-
1-stearoyl-2-oleoyl-GPS (18:0/18:1)PS 18:0/18:1ME3867189547087-3000-
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME386719497299-1606-
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME3867209547068-1626-
2-aminooctanoate2-Aminocaprylic acidME38672169522-750-
2-methylhexanoylcarnitine-ME386722--816-
3-decenoylcarnitineCAR 10:1ME386723--1045-
3-hydroxydecanoylcarnitineCAR 10:0;3OHME386724--961-
3-hydroxyoleoylcarnitineCAR 18:1(9Z);3OHME386725--1406-
4-cholesten-3-oneCholestenoneME38672691477C005992520-
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME386727--1135-
adrenoylcarnitine (C22:4)*CAR 22:4ME386728--1415-
alpha-tocopherolalpha-TocopherolME38672914985C024772522-
arachidonoylcarnitine (C20:4)CAR 20:4ME386730--1353-
arachidonoylcholineArachidonoylcholineME386731--1390-
arachidoylcarnitine (C20)*CAR 20:0ME386732--1512-
atorvastatin lactone-ME3867336483036-1190-
behenoylcarnitine (C22)*CAR 22:0ME386736--1561-
behenoyl dihydrosphingomyelin (d18:0/22:0)*SM 18:0;O2/22:0ME386734--3150-
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME386735--3083-
beta-cryptoxanthinCryptoxanthinME3867376384256-2560-
bilirubinBilirubinME3867395280352C004861840-
bilirubin (E,Z or Z,E)*BilirubinME3867385799469-1265-
biliverdinBiliverdinME3867405353439C005001016-
campesterolCampesterolME386741173183C017892873-
carbamazepineCarbamazepineME3867422554D00252880-
carotene diol (1)Carotene diolME386743--1720-
carotene diol (2)Carotene diolME386744--1904-
carotene diol (3)Carotene diolME386745--1948-
ceramide (d16:1/24:1, d18:1/22:1)*Cer 40:2;O2ME386746--3850-
ceramide (d18:1/14:0, d16:1/16:0)*Cer 36:1;O2ME386747--2477-
ceramide (d18:1/17:0, d17:1/18:0)*Cer 35:1;O2ME386748--3055-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*Cer 38:1;O2ME386749--3920-
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME386750--3858-
cerotoylcarnitine (C26)*CAR 26:0ME386751--1649-
cetirizineCetirizineME3867522678C077781052-
cholesterolCholesterolME38675311025495C001872707-
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME386754--1057-
citalopram/escitalopramEscitalopramME386755146570D07913908-
clindamycinClindamycinME386756446598D00277,C06914848-
cyclobenzaprineCyclobenzaprineME3867572895C06931,D07758998-
decanoylcarnitine (C10)CAR 10:0ME38675910245190-1130-
De(carboxymethoxy) cetirizine acetic acid-ME386758--988-
deoxycholateDeoxycholic acidME386760222528C044831415-
desmethylcitalopram*N-DesmethylcitalopramME386761162180C16608880-
dexlansoprazoleDexlansoprazoleME3867629578005D08903827-
dextromethorphanDextromethorphanME3867635362449C06947904-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*DG 34:3ME386764--2733-
dihomo-linolenoylcarnitine (C20:3n3 or 6)*CAR 20:3ME386766--1392-
dihomo-linolenoyl-choline-ME386765--1424-
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME386767--1436-
diltiazemDiltiazemME38676839186C06958888-
diphenhydramineDiphenhydramineME3867693100C06960911-
docosahexaenoylcarnitine (C22:6)*CAR 22:6ME386770--1349-
docosahexaenoylcholine-ME386771--1378-
eicosenoylcarnitine (C20:1)*CAR 20:1ME386772--1484-
fexofenadineFexofenadineME3867733348C06999944-
fluoxetineFluoxetineME3867743386D003261025-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME386775--2384-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME386776--3414-
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*HexCer 42:3;O2ME386777--3380-
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...HexCer 18:1;O2/24:1;OME386778--3839-
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*HexCer 18:2;O2/22:0ME386779--3420-
glycosyl-N-behenoyl-sphingosine (d18:1/22:0)*HexCer 18:2;O2/23:0ME386780--4058-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME386781--2623-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME386782--3053-
glycosyl-N-tricosanoyl-sphingadienine (d18:2/23:0)...HexCer 18:2;O2/23:0ME386783--3724-
hemeHemeME38678426945C000321124-
hydroxybupropionHydroxybupropionME386785446-750-
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))SM 18:1;O2/24:0ME386786--2056-
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*LacCer 18:1;O2/22:0ME386788--3842-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME386789--3778-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME386790--2527-
laurylcarnitine (C12)CAR 12:0ME38679110427569-1235-
lidocaineLidocaineME3867923676D00358746-
lignoceroylcarnitine (C24)*CAR 24:0ME386794--1603-
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME386793--3437-
linolenoylcarnitine (C18:3)*CAR 18:3ME386795--1310-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*DG 18:2_20:4ME386796--2590-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME386797--2650-
linoleoylcarnitine (C18:2)*CAR 18:2ME3868016450015-1430-
linoleoylcholine*alpha-LinoleoylcholineME386802--1388-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]...DG 18:2_22:6ME386798--2450-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME386799--2720-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*DG 18:2_18:2ME386800--2790-
losartanLosartanME386803--910-
L-urobilinL-UrobilinME3867875280818C05793901-
margaroylcarnitine (C17)*CAR 17:0ME386804--1424-
methadoneMethadoneME3868054095C07163,D081951032-
mirtazapineMirtazapineME3868064205C07570,D00563744-
montelukastSM 18:0;O2/14:0ME3868075281040D08229,D00529,C074821318-
myristoleoylcarnitine (C14:1)*CAR 14:1ME38680890659872-1316-
myristoylcarnitine (C14)CAR 14:0ME3868106426854-1350-
myristoyl dihydrosphingomyelin (d18:0/14:0)*SM 18:0;O2/14:0ME386809--2060-
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME386811--3911-
N-desalkylquetiapine*Cer 17:1;O2/16:0ME38681211369918-874-
nervonoylcarnitine (C24:1)*CAR 24:1ME386820--1602-
nonanoylcarnitine (C9)CAR 9:0ME386821--1010-
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*Cer 17:1;O2/16:0ME386813--2645-
N-palmitoyl-sphingadienine (d18:2/16:0)*Cer 18:2;O2/16:0ME386814--2490-
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME3868155283572-3090-
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME3868165283564-2893-
N-stearoyl-sphingadienine (d18:2/18:0)*Cer 18:2;O2/18:0ME386817--2846-
N-stearoyl-sphinganine (d18:0/18:0)*Cer 18:0;O2/18:0ME3868185283573-3526-
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME3868195283565-3392-
octadecanedioylcarnitine (C18-DC)*CAR DC18:0ME386823--1227-
octadecenedioylcarnitine (C18:1-DC)*CAR DC18:1ME386824--1180-
octanoylcarnitine (C8)CAR 8:0ME386825123701C02838950-
O-desmethylvenlafaxineDesvenlafaxineME386822125017D07793660-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*DG 18:1_20:4ME386826--2907-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*DG 18:1_20:4ME386827--2990-
oleoylcarnitine (C18:1)CAR 18:1ME3868316441392-1423-
oleoylcholineOleoylcholineME386832--1449-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME386828--3115-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME386829--3223-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*DG 18:1_18:1ME386830--3695-
omeprazoleOmeprazoleME3868334594C07324717-
palmitoleoylcarnitine (C16:1)*CAR 16:1ME38683571464547-1357-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME386834--2664-
palmitoylcarnitine (C16)CAR 16:0ME386839461C029901425-
palmitoylcholinePalmitoylcholineME386840151731-1482-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME3868369939965-2290-
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME3868379939941-2168-
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...EPC 18:1;O2/16:0ME386838--2207-
paroxetineParoxetineME38684143815D02362,C07415963-
piperinePiperineME386842638024C038821168-
promethazinePromethazineME3868434927C07404,D00494,D01242994-
quetiapineQuetiapineME3868445002C07397874-
retinol (Vitamin A)RetinolME386845445354C004731636-
sertralineSertralineME38684668617C072461070-
solanidineSolanidineME38684765727C065431010-
sphinganineSphinganineME3868483126C008361413-
sphinganine-1-phosphateSphinganine 1-phosphateME386849520-1431-
sphingomyelin (d17:1/14:0, d16:1/15:0)*SM 31:1;O2ME386850--1950-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...SM 33:1;O2ME386851--2082-
sphingomyelin (d17:2/16:0, d18:2/15:0)*SM 33:2;O2ME386852--1837-
sphingomyelin (d18:0/18:0, d19:0/17:0)*SM 36:0;O2ME386853--2362-
sphingomyelin (d18:0/20:0, d16:0/22:0)*SM 38:0;O2ME386854--2600-
sphingomyelin (d18:1/14:0, d16:1/16:0)*SM 32:1;O2ME38685511433862-1998-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME386856--2312-
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME3868576443882-2167-
sphingomyelin (d18:1/19:0, d19:1/18:0)*SM 37:1;O2ME386858--2330-
sphingomyelin (d18:1/20:0, d16:1/22:0)*SM 38:1;O2ME386859--2685-
sphingomyelin (d18:1/20:1, d18:2/20:0)*SM 38:2;O2ME386860--2383-
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)...SM 18:1;O2/20:2ME386861--2039-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...SM 39:1;O2ME386862--2793-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...SM 40:2;O2ME386863--2666-
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...SM 40:3;O2ME386864--2209-
sphingomyelin (d18:1/24:1, d18:2/24:0)*SM 42:2;O2ME386865--3033-
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...SM 43:1;O2ME386866--3500-
sphingomyelin (d18:2/14:0, d18:1/14:1)*SM 32:2;O2ME386867--1860-
sphingomyelin (d18:2/16:0, d18:1/16:1)*SM 34:2;O2ME386868--2002-
sphingomyelin (d18:2/18:1)*SM 18:2;O2/18:1ME386869--1904-
sphingomyelin (d18:2/21:0, d16:2/23:0)*SM 39:2;O2ME386870--2330-
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...SM 41:2;O2ME386871--2845-
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME386872--2315-
sphingomyelin (d18:2/24:1, d18:1/24:2)*SM 42:3;O2ME386873--2635-
sphingomyelin (d18:2/24:2)*SM 18:2;O2/24:2ME386874--2215-
sphingosineSphingosineME3868755353955C003191393-
sphingosine 1-phosphateSphingosine 1-phosphateME3868765283560C061241375-
stearoylcarnitine (C18)CAR 18:0ME3868796426855-1485-
stearoylcholine*StearoylcholineME386880--1520-
stearoyl ethanolamideStearoyl-EAME38687727902-1787-
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME3868786453725C005502400-
tamsulosinTamsulosinME386881129211C07124,D08560761-
trazadoneTrazodoneME3868825533C07156,D08626837-
tricosanoyl sphingomyelin (d18:1/23:0)*SM 18:1;O2/23:0ME386883--3200-
undecenoylcarnitine (C11:1)CAR 11:1ME386884--1069-
venlafaxineVenlafaxineME3868855656C07187848-
verapamilVerapamilME3868862520D02356945-
ximenoylcarnitine (C26:1)*CAR 26:1ME386887--1607-


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME3869185312435-5555-
10-hydroxywarfarin-ME386919--3910-
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME3869205312513-5780-
10-undecenoate (11:1n1)10-Hendecenoic acidME38692114891C139105085.8-
11beta-hydroxyandrosterone glucuronide-ME386922--4209-
12,13-DiHOME12,13-DiHOMEME38692310236635C148295137-
1,2,3-benzenetriol sulfate (2)-ME386892--1709-
1,3,7-trimethylurate1,3,7-Trimethyluric acidME38689379437C163611985-
1,3-dimethylurate1,3-Dimethyluric acidME38689470346-1671.4-
13-HODE + 9-HODEHODEME386924--5275-
(14 or 15)-methylpalmitate (a17:0 or i17:0)Methylpalmitic acidME386888--5695-
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME38689564960C07326802-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME386926--4240-
16-hydroxypalmitateJuniperic acidME38692510466C182185236.2-
(16 or 17)-methylstearate (a19:0 or i19:0)Methyloctadecanoic acidME3868893083779-5993-
17alpha-hydroxypregnanolone glucuronide-ME386927--5071.9-
17alpha-hydroxypregnenolone 3-sulfate-ME386928152971-4800-
1,7-dimethylurate1,7-Dimethyluric acidME38689691611C163561578.6-
1-arachidonoyl-GPI* (20:4)*LPI 20:4/0:0ME386897--5482-
1-arachidonylglycerol (20:4)MG 20:4ME3868985282281C138576250-
1-carboxyethylisoleucine1-CarboxyethylisoleucineME386899--2628-
1-carboxyethylleucine1-CarboxyethylleucineME386900--2663-
1-carboxyethylphenylalanine1-CarboxyethylphenylalanineME386901--2844-
1-carboxyethyltyrosine1-CarboxyethyltyrosineME386902--1846-
1-carboxyethylvaline1-CarboxyethylvalineME386903--2008-
1-hydroxy-2-naphthalenecarboxylate1-Hydroxy-2-naphthoateME3869046844C032033930-
1-linoleoylglycerol (18:2)MG 18:2ME3869085283469-6477-
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME38690552925130-5900-
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME386906--5516-
1-linoleoyl-GPI* (18:2)*LPI 18:2/0:0ME386907--5494-
1-methylguanosine1-MethylguanosineME38734696373-1915-
1-methylhistidine1-MethylhistidineME38690992105C011521227-
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME3869125283468-6650-
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME386910--5610-
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME386911--5599-
1-palmitoleoylglycerol (16:1)*MG 16:1ME386913--6094-
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME3869143300276-5570-
1-palmitoyl-GPI* (16:0)LPI 16:0/0:0ME386915--5564-
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME386916--5816-
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME386917--5794-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME386973134595-3935-
2,2'-Methylenebis(6-tert-butyl-p-cresol)-ME3869318398-6000-
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME386932301941-787-
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME386933--1156-
2,3-diphosphoglycerate2,3-Diphosphoglyceric acidME386934186004C01159555-
2,4-di-tert-butylphenol2,4-Ditert-butylphenolME386935--5749-
(2,4 or 2,5)-dimethylphenol sulfate-ME386891--3474-
2,6-dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME3869369338-2575-
2,8-quinolinediol sulfate-ME386937--2612-
2-acetamidophenol sulfate2-Acetamidophenol sulfateME386938181671-2251-
2-aminophenol sulfate2-Aminophenyl sulfateME386939181670-1677-
2-butenoylglycine2-ButenoylglycineME3869406303498-1380-
2'-deoxyuridineDeoxyuridineME38692913712C005261586-
2-ethylphenylsulfate-ME386941--3416-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME386942164623-1800-
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME38694386290013-1674-
2-hydroxyarachidate*2-Hydroxyeicosanoic acidME3869445225199-5990-
2-hydroxybehenate2-Hydroxy behenic acidME386945193484-6384-
2-hydroxydecanoate2-Hydroxycapric acidME38694621488-4840-
2-hydroxyfluorene sulfate-ME386947--4372-
2-hydroxyhippurate (salicylurate)Salicyluric acidME38694810253C075882184-
2-hydroxyibuprofen2-HydroxyibuprofenME38694910443535-3462-
2-hydroxylaurate2-Hydroxylauric acidME38695097783-5211-
2-hydroxynervonate*Hydroxynervonic acidME3869515312783-6345-
2-hydroxyoctanoate2-Hydroxyoctanoic acidME38695294180-3736.8-
2-hydroxypalmitate2-Hydroxypalmitic acidME38695392836-5511.2-
2-hydroxyphytanate*2-Hydroxyphytanic acidME386954189026-5751-
2-hydroxysebacate2-Hydroxy-decanedioic acidME386955128458-1324-
2-hydroxystearate2-Hydroxystearic acidME38695669417C030455695-
2-methoxyacetaminophen glucuronide*2-Methoxyacetaminophen glucuronideME38695714367271-1633-
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME38695886290014-1949-
2-methoxyhydroquinone sulfate (1)-ME386959--1505-
2-methoxyhydroquinone sulfate (2)-ME386960--1619-
2-methoxyresorcinol sulfate-ME386961--1863-
2-methylbutyrylglycine (C5)2-MethylbutyrylglycineME386962193872-1884-
2-methylcitrate/homocitrateHomocitric acidME386963--575-
2-naphthol sulfate2-Naphthyl sulfateME38696474428-3658-
2-octenoylglycine-ME386966--4150-
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME3869675319879-6500-
2-O-methylascorbic acid2-O-Methylascorbic acidME38696599779-778-
2'-O-methyluridine2'-O-MethyluridineME386930102212-1831-
(2 or 3)-decenoate (10:1n7 or n8)Decenoic acidME386890--4990-
2-oxindole-3-acetate2-Oxindole-3-acetateME3869683080590-2076-
2-palmitoleoyl-GPC* (16:1)*LPC 0:0/16:1ME386969--5720-
2-palmitoyl-GPC* (16:0)*LPC 0:0/16:0ME38697015061532-6215-
2-propyl-4-pentenoate (4-ene-valproate)4-ene-Valproic acidME386971104896-3436-
2-stearoyl-GPE (18:0)*LPE 0:0/18:0ME386972--6350-
3-(3-amino-3-carboxypropyl)uridine*3-(3-amino-3-carboxypropyl)uridineME386975171198-1369-
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME38697691C114571980-
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME386977187488-1294-
3-(4-hydroxyphenyl)lactate (HPLA)4-Hydroxyphenyllactic acidME3869789378C036721379-
3,7-dimethylurate3,7-Dimethyluric acidME38697483126C163601418-
3-acetylphenol sulfate3-Acetylphenol sulfateME386981--2477-
3beta,7alpha-dihydroxy-5-cholestenoate3beta,7alpha-Dihydroxy-5-cholestenoic acidME3870203081084C173355275-
3beta-hydroxy-5-cholestenoateCholestenoic acidME387021165511C173335398-
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME38701992997-5205-
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*3-Bromo-5-chloro-2,6-dihydroxybenzoic acidME386982--4505-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME386983194501-4000-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME386984123979-2800-
3-ethylcatechol sulfate (1)-ME386985--3422-
3-ethylcatechol sulfate (2)-ME386986--3555-
3-formylindole1H-Indole-3-carboxaldehydeME38698710256C084933709-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME386988188979-975-
3-hydroxy-2-methylpyridine sulfate-ME386989--1849-
3-hydroxyarachidate*3-Hydroxyeicosanoic acidME3869905282918-5950-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME386991441C01089743.2-
3-hydroxybutyroylglycine-ME386992--889-
3-hydroxycotinine glucuronidetrans-3-Hydroxycotinine glucuronideME386993183115-1745-
3-hydroxydecanoate3-Hydroxydecanoic acidME38699426612-4634.7-
3-hydroxydodecanedioate*3-Hydroxy-dodecanedioic acidME38699516663321-2252-
3-hydroxyhippurate3-Hydroxyhippuric acidME386996450268-1687-
3-hydroxyindolin-2-one sulfate-ME386997--2082-
3-hydroxykynurenineHydroxykynurenineME38699889C027941349-
3-hydroxylaurate3-Hydroxydodecanoic acidME38699994216-5175-
3-hydroxymyristate3-Hydroxytetradecanoic acidME38700016064-5335-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME38700126613-3446-
3-hydroxyphenylacetoylglutamine-ME387002--1825-
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME387003--1595.5-
3-hydroxysebacate3-Hydroxysebacic acidME3870043017884-1282-
3-hydroxystearate3-Hydroxystearic acidME3870055282907-5674-
3-hydroxyvalproate3-Hydroxyvalproic acidME387006134459C166512912-
3-indoleglyoxylic acid-ME38700773863-2140-
3-indoxyl sulfateIndoxyl sulfateME38700810258-2222.2-
3-methoxycatechol sulfate (1)-ME387009--2163-
3-methoxycatechol sulfate (2)-ME387010--2200-
3-methoxytyramine sulfate3-Methoxytyramine sulfateME387011--1722-
3-methyl-2-oxobutyrateKetoisovaleric acidME38701349C001411465-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME38701447C006712064.2-
3-methyl catechol sulfate (1)-ME387012--2790-
3-methylhistidine3-MethylhistidineME38701564969C01152906.3-
3-(methylthio)acetaminophen sulfate*-ME386979--2265-
3-methylurate*3-Methyluric acidME38701611804-1024-
3-methylxanthine3-MethylxanthineME38701770639C163571700-
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME38698083967-2094-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME387018107C056292860-
4-acetamidobenzoate4-Acetamidobenzoic acidME38702219266D038361403-
4-acetamidobutanoate4-Acetamidobutanoic acidME38702318189C02946894-
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME38702483944-1400-
4-acetaminophen sulfateParacetamol sulfateME38702583939C068041792-
4-acetylcatechol sulfate (1)-ME387026--1774-
4-acetylphenyl sulfate4-Acetylphenyl sulfateME3870274684006-2375-
4-allylcatechol sulfate-ME387028--3571-
4-allylphenol sulfate4-Allylphenol sulfateME387029--3805-
4-aminophenol sulfate (2)-ME387030--1168-
4-chlorobenzoic acid4-Chlorobenzoic acidME387031--3015-
4-ethylcatechol sulfate-ME387032--3379-
4-ethylphenyl sulfate4-EthylphenolME38703320822574C136373580-
4-hydroxychlorothalonil4-HydroxychlorothalonilME38703534217-4427-
4-hydroxycoumarin4-HydroxycoumarinME38703654682930C204142470-
4-hydroxy duloxetine glucuronide*-ME387034--3705-
4-hydroxyhippurate4-Hydroxyhippuric acidME387037151012-1475-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME387038127C006421361-
4-hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME387039--1650-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME387040979C011791690-
4-methoxyphenol sulfate4-Methoxyphenol sulfateME387041--2412-
4-methyl-2-oxopentanoateKetoleucineME38704270C002332170-
4-methylbenzenesulfonateToluene-4-sulfonic acidME3870436101C066772350-
4-methylcatechol sulfate-ME387044--2665-
4-methylguaiacol sulfate-ME387045--2978-
4-methylhexanoylglutamine-ME387046--3390-
4-methylhexanoylglycine-ME387047--3550-
4-vinylguaiacol glucuronide-ME387048--3010-
4-vinylguaiacol sulfate4-Vinylguaiacol sulfateME387049--3354-
4-vinylphenol sulfate4-HydroxystyreneME3870506426766C056273320-
5,6-dihydrothymineDihydrothymineME38705193556C009061637.8-
5,6-dihydrouridine5,6-DihydrouridineME38705294312-1119-
5alpha-androstan-3alpha,17beta-diol 17-glucuronide-ME387061--4930-
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME387062--4275-
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME387063--4925-
5alpha-androstan-3alpha,17beta-diol monosulfate (2...-ME387064--5080-
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME387065--4215-
5alpha-androstan-3beta,17beta-diol disulfate-ME387066242332C125253880-
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME387067--4685-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME387068--3962-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME387069--5060-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME387070--5180-
5alpha-pregnan-diol disulfate-ME3870715127902-4310-
5-dodecenoate (12:1n7)5-Dodecenoic acidME3870535312378-5224-
5-hydroxy-2-methylpyridine sulfate-ME387054--2074-
5-hydroxy-6-methoxy duloxetine sulfate*-ME387055--3807-
5-hydroxyhexanoate5-Hydroxycaproic acidME387056170748-1267-
5-hydroxyindole glucuronide-ME387057--1504-
5-hydroxyindole sulfate-ME387058--1928-
5-methyluridine (ribothymidine)RibothymidineME387059445408-1778.1-
5-oxoprolinePyroglutamic acidME3870607405C01879738.5-
6-bromotryptophan6-BromotryptophanME387072--3565-
6-hydroxyindole sulfate6-Hydroxyindole sulfateME387073122198196-2498-
6-hydroxywarfarin-ME387074--3358-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME3870753014237-965-
7-HOCA7alpha-Hydroxy-3-oxo-4-cholestenoic acidME3870763081085C173375288.1-
7-hydroxyoctanoate7-Hydroxyoctanoic acidME387077167627-2232.7-
7-hydroxywarfarin-ME387078--3300-
7-methylguanine7-MethylguanineME38707911361C022421729.7-
7-methylurate7-Methyluric acidME38708069160C163551138-
9,10-DiHOME9,10-DiHOMEME3870819966640C148285180-
9-hydroxystearate9-Hydroxy stearic acidME3870829570127-5384-
acesulfameAcesulfameME38708336573-1581-
acisogaAcisogaME387084129397-2297-
aconitate [cis or trans]cis-Aconitic acidME387085--580-
adenosine 3',5'-cyclic monophosphate (cAMP)3',5' cyclic AMPME3870866076C005751952.2-
ADpSGEGDFXAEGGGVR*-ME387199--2016-
adrenate (22:4n6)Adrenic acidME3870875497181C165275678-
ADSGEGDFXAEGGGVR*-ME38719716133137-2474-
allopurinolAllopurinolME3870882094-1530-
allopurinol ribosideAllopurinol ribosideME387089--1660-
alpha-CEHCalpha-CEHCME3870909943542-4045-
alpha-CEHC glucuronide*-ME387091134819285-2616-
alpha-CEHC sulfatealpha-CEHC sulfateME387092--3090-
alpha-CMBHC glucuronide-ME387093--3664-
alpha-hydroxycaproate2-Hydroxyhexanoic acidME38709499824-1920-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME38709583697C032641840-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME38709699823-1126-
amoxicillinAmoxicillinME3870972171C068272365-
androstenediol (3alpha, 17alpha) monosulfate (2)-ME387099--4712-
androstenediol (3alpha, 17alpha) monosulfate (3)-ME387100--5180-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME38710187120982C042953740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME387102--4065-
androstenediol (3beta,17beta) monosulfate (1)-ME38710313847309-4535-
androstenediol (3beta,17beta) monosulfate (2)-ME387104--4500-
andro steroid monosulfate C19H28O6S (1)*Dehydroepiandrosterone sulfateME387098--3871-
androsterone glucuronideAndrosterone 3-glucuronideME387105114833C111354953-
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME387106159663-5022-
arachidate (20:0)Arachidic acidME38710710467C064256240-
arachidonate (20:4n6)Arachidonic acidME387108444899C002195535-
ascorbic acid 3-sulfate*-ME38710911425365-621-
atorvastatin (lipitor)AtorvastatinME38711060823D008875101-
azelate (C9-DC)Azelaic acidME3871112266C082611276-
behenate (22:0)*Behenic acidME3871128215C082816745-
benazeprilBenazeprilME3871135362124C06843,D074994882-
benzoateBenzoic acidME387114243C001801750-
bestatinBestatinME38711572172C007324102-
beta-citrylglutamateBeta-Citryl-glutamic acidME38711672715786C20775530-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME38711769362-1027-
bilirubin (E,E)*BilirubinME3871185315454-4294-
branched chain 14:0 dicarboxylic acid-ME387119--3849-
branched-chain, straight-chain, or cyclopropyl 10:...Decenoic acidME387120--4805-
branched-chain, straight-chain, or cyclopropyl 12:...-ME387121--5261-
butyrate/isobutyrate (4:0)Butyric acidME387122264C002461062-
caffeic acid sulfate-ME387124--870-
caprate (10:0)Capric acidME3871252969C015715090.7-
caproate (6:0)Caproic acidME3871268892C015852713.7-
caprylate (8:0)Caprylic acidME387127379C064234362-
carbamazepine glucuronide*-ME387128--3884-
carboxyibuprofenCarboxyibuprofenME38712910444113-1920-
carnitine of C10H14O2 (5)*-ME387130--4521-
catechol glucuronide-ME38713175124209-1742-
catechol sulfateCatechol sulfateME3871323083879-1906-
celecoxibCelecoxibME3871332662C075895283-
C-glycosyltryptophanC-GlycosyltryptophanME38712310981970-1777-
chenodeoxycholic acid sulfate (1)Chenodeoxycholic acid sulfateME387134--4531-
chlorthalidoneChlorthalidoneME3871352732D002723600-
cholateCholic acidME387136221493C006955165-
cholic acid glucuronideCholic acid glucuronideME387137--4512-
cimetidineCimetidineME387138--3176-
cinnamoylglycineCinnamoylglycineME387139709625-3127-
ciprofloxacinCiprofloxacinME387140-C053492724-
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME3871415312351-4890-
citalopram propionate*-ME38714210403174C166104400-
citrateCitric acidME387143311C00158582-
corticosteroneCorticosteroneME3871445753C021405040-
cortisolCortisolME3871455754C007354710-
cortisoneCortisoneME387146222786C007624575-
cortolone glucuronide (1)-ME387147--4600-
creatineCreatineME387148586C00300763-
cyclo(pro-sulfo-tyr)*-ME387149--2058-
cytidineCytidineME3871506175C004751325-
daidzein sulfate (2)-ME387151--3330-
dehydroepiandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME38715212594C045554745-
delta-CEHC-ME38715311536125-3422-
delta-CEHC glucuronide-ME387154--2116-
deoxycholic acid 12-sulfate*-ME387155--4580-
deoxycholic acid glucuronide-ME387156--4800-
desmethylnaproxenO-DesmethylnaproxenME38715713393711-3045-
desmethylnaproxen sulfate-ME387158184679-2250-
dibutyl sulfosuccinate-ME387159423891-3557-
dihomolinoleate (20:2n6)11Z,14Z-Eicosadienoic acidME3871606439848C165255730-
dihomolinolenate (20:3n3 or 3n6)Eicosatrienoic acidME3871615280581C032425596-
dihydroferulateDihydroferulic acidME38716214340-1928-
dihydroferulic acid sulfateDihydroferulic acid 4-sulfateME387163187489-1310-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME3871645282807C165336034-
docosadioate (C22-DC)Docosanedioic acidME387165244872C196255291.8-
docosahexaenoate (DHA; 22:6n3)DHAME387166445580C064295525-
docosapentaenoate (DPA; 22:5n3)DPAME3871676441454C165135571-
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME3871686441454C165135624.5-
docosatrienoate (22:3n3)13,16,19-Docosatrienoic acidME3871695312556C165345823-
docosatrienoate (22:3n6)*10Z,13Z,16Z-Docosatrienoic acidME387170--5850-
dodecadienoate (12:2)*Dodecadienoic acidME387171--5146-
dodecanedioate (C12)Dodecanedioic acidME38717212736C026782990-
dodecenedioate (C12:1-DC)*Traumatic acidME387173--2700-
dopamine 3-O-sulfateDopamine 3-O-sulfateME387174122136C136901556.2-
dopamine 4-sulfateDopamine 4-sulfateME387175123932C136911511-
DSGEGDFXAEGGGVR*-ME387198--2535-
eicosanedioate (C20-DC)Eicosanedioic acidME38717675502-5200.9-
eicosapentaenoate (EPA; 20:5n3)EPAME387177446284C064285450-
eicosenedioate (C20:1-DC)*-ME387178--5095-
eicosenoate (20:1n9 or 1n11)cis-Gondoic acidME3871795282768C165265950-
enterolactone sulfate-ME387180--3746-
epiandrosterone sulfateEpiandrosteroneME3871819929317-4855-
ergothioneineErgothioneineME3871823032311C05570821-
erucate (22:1n9)cis-Erucic acidME3871835281116C083166355.6-
estrone 3-sulfateEstrone 3-sulfateME3871843001028C025384417.3-
ethyl alpha-glucopyranoside-ME387185428040-1576-
ethyl beta-glucopyranoside-ME387186121667-1519-
ethyl glucuronideEthyl glucuronideME387187152226-793-
etiocholanolone glucuronideAndrosterone 3-glucuronideME387188270605-4915-
eugenol sulfateEugenol sulfateME387189180632-3782-
ezetimibe glucuronide*-ME3871909894653-4588-
famotidineFamotidineME3871915702160D003182620-
ferulic acid 4-sulfateFerulic acid 4-sulfateME3871926305574-1200-
feruloylquinate (4)3-O-Feruloylquinic acidME387193--2546-
ferulylglycine (1)-ME387194--2239-
ferulylglycine (2)-ME387195--2172-
Fibrinopeptide A (3-16)-ME387196--2786-
Fibrinopeptide B-ME387200--2909-
Fibrinopeptide B (1-12)-ME387201--2366-
Fibrinopeptide B (1-13)-ME387202--2482-
fluconazoleFluconazoleME3872033365D003223564-
furosemideFurosemideME3872043440D003313515-
gabapentinGabapentinME3872053446D003322407.4-
gamma-CEHCgamma-CEHCME387206133098-3843-
gamma-CEHC glucuronide*-ME387207--2500-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME387208111299-1825-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME38720994340-1240-
gamma-glutamylvalinegamma-GlutamylvalineME3872107015683-1072-
gemfibrozilGemfibrozilME3872113463D003345166-
genistein sulfate*-ME387212--3616-
gentisateGentisic acidME3872133469C006281459.8-
GlcNAc sulfate conjugate of C21H34O2 steroid-ME387214--4336.7-
GlimepirideGlimepirideME387215--5063-
glipizideGlipizideME3872163478D003354312-
glucuronide of C10H14O2 (4)*-ME387217--4030-
glucuronide of C10H14O2 (7)*-ME387218--4227-
glucuronide of C10H18O2 (1)*-ME387219--2728-
glucuronide of C10H18O2 (10)*-ME387220--4622-
glucuronide of C10H18O2 (11)*-ME387221--4680-
glucuronide of C10H18O2 (12)*-ME387222--4760-
glucuronide of C10H18O2 (7)*-ME387223--3790-
glucuronide of C10H18O2 (8)*-ME387224--3865-
glucuronide of C12H20O3 (1)*-ME387225--3728-
glucuronide of C12H20O3 (2)*-ME387226--3815-
glucuronide of C12H20O3 (4)*-ME387227--3992-
glucuronide of C12H22O4 (1)*-ME387228--2590-
glucuronide of C14H26O4 (1)*-ME387229--3200-
glucuronide of C8H14O2 (1)*-ME387230--3679-
glucuronide of C8H14O2 (2)*-ME387231--3730-
glucuronide of C8H14O2 (3)*-ME387232--3791-
glucuronide of piperine metabolite C17H21NO3 (3)*-ME387233--3951-
glucuronide of piperine metabolite C17H21NO3 (4)*-ME387234--3992-
glucuronide of piperine metabolite C17H21NO3 (5)*-ME387235--4039-
glutamine conjugate of C6H10O2 (1)*-ME387236--2404-
glutamine conjugate of C6H10O2 (2)*-ME387237--2526-
glutamine conjugate of C7H12O2*-ME387238--3053-
glutamine conjugate of C8H12O2 (1)*-ME387239--3105-
glutamine conjugate of C8H12O2 (2)*-ME387240--3239-
glutamine conjugate of C9H16O2 (1)*-ME387241--4243-
glycerolGlycerolME387242753C00116758-
glycine conjugate of C10H12O2*-ME387243--4005-
glycine conjugate of C10H14O2 (1)*-ME387244--4335-
glyco-beta-muricholateGlyco-beta-muricholic acidME387245--4762-
glycochenodeoxycholateGlycochenodeoxycholic acidME38724612544C054665236.1-
glycochenodeoxycholate 3-sulfateGlycochenodeoxycholic acid 3-sulfateME387247--4820-
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME387248--4806-
glycocholateGlycocholic acidME38724910140C019215163-
glycocholate glucuronide (1)-ME387250--4533-
glycocholenate sulfate*Glycocholenate sulfateME387251--4750-
glycodeoxycholateGlycodeoxycholic acidME3872523035026C054645281-
glycodeoxycholate 3-sulfateGlycodeoxycholic acid 3-sulfateME387253--4875-
glycohyocholateGlycohyocholic acidME387254--5020-
glycolithocholateGlycolithocholic acidME387255115245C155575357.1-
glycolithocholate sulfate*Sulfoglycolithocholic acidME38725672222C113015011-
glycoursodeoxycholateGlycoursodeoxycholic acidME38725712310288-5033-
glycoursodeoxycholic acid sulfate (1)-ME387258--4309-
guaiacol sulfateGuaiacol sulfateME38725922473-2344-
heneicosapentaenoate (21:5n3)6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acidME38726011998573-5514-
heptanoate (7:0)Heptylic acidME3872618094C177143670-
hexadecadienoate (16:2n6)7Z,10Z-Hexadecadienoic acidME38726213932172-5398-
hexadecanedioate (C16)Hexadecanedioic acidME38726310459C196154615-
hexadecenedioate (C16:1-DC)*-ME387264--4380-
hexanoylglutamineHexanoylglutamineME387265--2780-
hexanoylglycine (C6)HexanoylglycineME38726699463-2900-
hippurateHippuric acidME387267464C015862106.9-
histidineHistidineME3872686274C00135755.9-
homovanillate (HVA)Homovanillic acidME3872691738C055821649-
hydrochlorothiazideHydrochlorothiazideME3872703639C070412046-
hydroquinone sulfateQuinol sulfateME387271161220C005301395-
hydroxy-CMPF*-ME387272--1516-
hyocholateHyocholic acidME38727392805C176495046-
hypoxanthineHypoxanthineME387274790C002621291.2-
ibuprofenIbuprofenME3872763672D001264925-
ibuprofen acyl glucuronide-ME387277163959-4976-
indole-3-carboxylateIndole-3-carboxylic acidME38727869867C198371710-
indoleacetateIndoleacetic acidME387279802C009542200-
indoleacetylglutamineIndoleacetyl glutamineME38728025200879-2535-
indolelactateIndolelactic acidME38728192904C020432286-
indolepropionate3-Indolepropionic acidME3872823744-2795-
indomethacinIndomethacinME3872833715C019265003-
indoxyl glucuronideInodxyl glucuronideME3872842733785-1940-
inosineInosineME3872856021C002941602.1-
isobutyrylglycine (C4)IsobutyrylglycineME38728610855600-1420-
isoeugenol sulfate-ME387287--3893-
isoleucylglycineIle-GlyME387288342532-1992-
isoursodeoxycholateIsoursodeoxycholic acidME387289127601C176624809-
isovalerate (C5)Isovaleric acidME38729010430C082621564-
isovalerylglycineIsovalerylglycineME387291546304-1950-
I-urobilinogenMesobilirubinogenME38727526818C057904190-
kynurenineKynurenineME387292161166C003281868.2-
lactateLactic acidME387293612C00186681.6-
laurate (12:0)Lauric acidME3872943893C026795300-
linoleate (18:2n6)Linoleic acidME3872955280450C015955535-
linolenate (18:3n3 or 3n6)Octadecatrienoic acidME3872965280934C064265450-
linoleoyl ethanolamideLinoleoyl-EAME3872975283446-6150-
lisinoprilLisinoprilME3872983937-2617-
lithocholate sulfate (1)Lithocholic acid sulfateME387299--4811-
lithocholic acid sulfate (2)Lithocholic acid sulfateME387300--5028-
malateMalic acidME387302525C00149615.6-
maltol sulfate-ME387303--1503-
margarate (17:0)Margaric acidME38730410465-5731-
meloxicamMeloxicamME387305-D00969,C081694100-
metabolonic lactone sulfate-ME387306--4802-
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME387308--2873-
methyl glucopyranoside (alpha + beta)Methyl glucoseME387307--1070-
methylnaphthyl sulfate (1)*-ME387309--4117-
methylnaphthyl sulfate (2)*-ME387310--4163-
morphine-3-glucuronideMorphine-3-glucuronideME3873115484731C166432495-
m-tyramine sulfate-ME387301--1723-
myristate (14:0)Myristic acidME38731211005C064245440-
myristoleate (14:1n5)Myristoleic acidME3873135281119C083225346.9-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME38734569698C058421668-
N-(2-furoyl)glycine2-FuroylglycineME38731621863-1525-
N2-methylguanosine2-MethylguanosineME3873483035422-1988-
N2,N5-diacetylornithineN2,N5-DiacetylornithineME38734765977-1367-
N4-acetyl-5-hydroxysulfamethoxazole*-ME387349--1745-
N4-acetylcytidineN4-AcetylcytidineME387350107461-2040-
N4-acetylsulfamethoxazole*N-AcetylsulfamethoxazoleME38735165280C13061,D016012489-
N6-acetyllysineN6-AcetyllysineME38735292832C027271059-
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME387353161466-2164-
N6-succinyladenosineSuccinyladenosineME387354165243-940-
N-acetyl-2-aminooctanoate*N-Acetyl-2-aminooctanoic acidME38731795555-3943-
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME387318193270-1360-
N-acetyl-4-chlorophenylalanine-ME387319--3500-
N-acetylalanineN-AcetylalanineME38732288064C02847861-
N-acetylaspartate (NAA)N-Acetylaspartic acidME38732365065C01042620.5-
N-acetyl-beta-alanineN-Acetyl-beta-alanineME38732076406C01073773-
N-acetylcitrullineN-AcetylcitrullineME387324656979C15532940-
N-acetylisoleucineN-AcetylisoleucineME387325306109-2325-
N-acetyl-isoputreanineN-AcetylisoputreanineME387321131802901-1050-
N-acetylkynurenine (2)N-AcetylkynurenineME387326--2378-
N-acetylleucineN-AcetylleucineME38732770912C027102400-
N-acetylmethionineN-AcetylmethionineME387328448580C027121787-
N-acetylphenylalanineN-AcetylphenylalanineME38732974839C035192597-
N-acetylpyrralineDehydroepiandrosteroneME387330--2545-
N-acetyltaurineN-AcetyltaurineME387331159864-800-
N-acetyltheanine-ME387332--1496-
N-acetylthreonineN-AcetylthreonineME387333152204-821.6-
N-acetyltryptophanN-Acetyl-tryptophanME387334700653C031372630-
N-acetyltyrosineN-AcetyltyrosineME38733568310-1680-
N-acetylvalineN-AcetylvalineME38733666789-1704-
naproxenNaproxenME387355156391C015174155-
N-delta-acetylornithineN(5)-Acetyl-ornithineME3873379920500-858-
N-formylanthranilic acidFormylanthranilic acidME387338101399C056532150-
N-formylmethionineN-FormylmethionineME387339439750C031451543.8-
N-formylphenylalanineN-FormylphenylalanineME387340759256-2360-
nicotinurateNicotinuric acidME38735668499C053801467-
nisinate (24:6n3)THAME38735711792612-5657-
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME387314--1596-
N,O-didesmethylvenlafaxine glucuronide-ME387315--2639-
N-oleoylserineNASer 18:1(9Z)ME387341--5600-
N-oleoyltaurineN-Oleoyl taurineME3873426437033-5610-
nonadecanoate (19:0)Nonadecylic acidME38735812591C165356068-
nonenedioate (C9:1-DC)*-ME387359--935-
N-palmitoylglycineN-Palmitoyl glycineME387343151008-5580-
N-stearoyltaurineN-Stearoyl taurineME387344168274-5782-
o-cresol sulfateo-Cresol sulfateME38736011615528-2796-
octadecadienedioate (C18:2-DC)*Octadecanedioic acidME387364--4676-
octadecanedioate (C18)Octadecanedioic acidME38736570095-5043-
octadecenedioate (C18:1-DC)-ME387366--4875-
O-desmethyltramadol glucuronide-ME387361--2790-
ofloxacinOfloxacinME3873674583C073213600-
o-hydroxyatorvastatin-ME3873629808225-5015-
oleate/vaccenate (18:1)Oleic acidME387368--5655-
oleoyl ethanolamideOleoyl-EAME3873695283454-6450-
olmesartanOlmesartanME387370158781D052463747-
O-sulfo-L-tyrosineSulfotyrosineME387363514186-990-
oxalate (ethanedioate)Oxalic acidME387371971C00209603-
palmitate (16:0)Palmitic acidME387375985C002495618-
palmitoleate (16:1n7)Palmitoleic acidME387376445638C083625475-
palmitoyl ethanolamidePalmitoyl-EAME3873774671C165126300-
pantoate(R)-Pantoic acidME387378439251C005221143-
pantoprazolePantoprazoleME3873794679C118064398-
pantothenate (Vitamin B5)Pantothenic acidME3873806613C008641498.7-
paraxanthineParaxanthineME3873814687C137472279-
p-cresol glucuronide*P-Cresol glucuronideME387372154035-2420-
p-cresol sulfatep-Cresol sulfateME3873734615423-2890-
pelargonate (9:0)Pelargonic acidME3873828158C016014798-
pentadecanoate (15:0)Pentadecylic acidME38738313849C165375521-
perfluorooctanoate (PFOA)Perfluorooctanoic acidME3873849554-5130-
phenol glucuronidePhenyl glucuronideME38738587235-1800-
phenol sulfatePhenyl hydrogen sulfateME38738674426C021802156-
phenylacetatePhenyl acetateME387387999C070862150-
phenylacetylalanine-ME387388564251-2684-
phenylacetylglutamateN-Phenylacetylglutamic acidME38738911579826-1570-
phenylacetylglycinePhenylacetylglycineME38739068144C055982375-
phenylacetylmethioninePhenylacetylmethionineME387391--3620-
phenylacetylthreonine-ME387392--2580-
phenylacetylvaline-ME3873933501227-3620-
phenyllactate (PLA)Phenyllactic acidME3873943848C056072208-
phenylpyruvatePhenylpyruvic acidME387395997C001662515-
p-hydroxyatorvastatin-ME3873749851106-4650-
phytanatePhytanic acidME38739626840C016075908-
prednisolonePrednisoloneME3873975755C07369,D004724701-
pregnanediol-3-glucuronidePregnanediol-3-glucuronideME387398123796-5145-
pregnen-diol disulfate*-ME387399--3868-
pregnenediol sulfate (C21H34O5S)*Pregnenolone sulfateME387400--5000-
pregnenetriol disulfate*-ME387401--3504-
pregnenetriol sulfate*-ME387402--4749-
pregnenolone sulfatePregnenolone sulfateME387403105074-5100-
pristanatePristanic acidME387404123929-5773-
propionylglycine (C3)PropionylglycineME38740598681-960-
propyl 4-hydroxybenzoate sulfate-ME387406--3971-
pseudouridinePseudouridineME38740715047C020671100-
pyrralinePyrralineME387408122228-2304-
pyruvatePyruvic acidME3874091060C00022732.4-
resveratrol disulfate (1)*-ME387410--2530-
resveratrol disulfate (2)*-ME387411--2840-
resveratrol glucuronide (1)*-ME387412--2806-
resveratrol glucuronide (2)*-ME387413--3422-
resveratrol sulfate (1)*-ME387414--3250-
resveratrol sulfate (2)*-ME387415--3665-
S-(3-hydroxypropyl)mercapturic acid (HPMA)N-Acetyl-S-(3-hydroxypropyl)-cysteineME3874163371179-1576-
saccharinSaccharinME3874195143D010852000-
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME387417439155C000211832.4-
salicyluric glucuronide*Salicyluric glucuronideME387420--1463-
sebacate (C10-DC)Sebacic acidME3874215192C082771788-
sitagliptinSitagliptinME38742211306691-4485-
S-methylcysteineMethylcysteineME38741824417-880-
stearate (18:0)Stearic acidME3874235281C015305872-
stearidonate (18:4n3)Stearidonic acidME3874245312508C163005395-
sucroseSucroseME3874255988C00089865-
sulfamethoxazoleSulfamethoxazoleME3874265329D00285,C07315,D004471941-
sulfate*SulfateME3874311118C00059616-
sulfate of piperine metabolite C16H19NO3 (2)*-ME387427--4112-
sulfate of piperine metabolite C16H19NO3 (3)*-ME387428--4200-
sulfate of piperine metabolite C18H21NO3 (1)*-ME387429--4481-
sulfate of piperine metabolite C18H21NO3 (3)*-ME387430--4630-
sulfociprofloxacin*-ME387432128781-2340-
tadalafilTadalafilME3874334687521-4898-
tartarateTartaric acidME387434444305C00898615.3-
tartronate (hydroxymalonate)Hydroxypropanedioic acidME38743545C02287610-
tauro-beta-muricholateTauro-beta-muricholic acidME387436168408-4774-
taurochenodeoxycholateTaurochenodeoxycholic acidME387437387316C054655250-
taurochenodeoxycholic acid 3-sulfateTaurochenodeoxycholic acid 3-sulfateME387438--4809-
taurocholateTaurocholic acidME3874396675C051225150-
taurocholenate sulfate*Taurocholenate sulfateME387440--4750-
taurodeoxycholateTaurodeoxycholic acidME3874412733768C054635257.4-
taurodeoxycholic acid 3-sulfateTaurodeoxycholic acid 3-sulfateME387442--4850-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME387443440071C036425027-
tauroursodeoxycholateTauroursodeoxycholic acidME3874449848818-5025-
tetradecadienedioate (C14:2-DC)*-ME387445--3148-
tetradecadienoate (14:2)*Tetradecadienoic acidME3874465312409-5292-
tetradecanedioate (C14)Tetradecanedioic acidME38744713185-3985-
THC carboxylic acid-ME387448107885-5263-
THC carboxylic acid glucuronide-ME387449--5224-
thymol sulfate-ME387450-C099084410-
thyroxineThyroxineME3874515819C018294808-
topiramateTopiramateME3874525284627C075024021-
trans-2-hexenoylglycine-ME387453--2707-
trans-3,4-methyleneheptanoate-ME387454--3807-
trans-3,4-methyleneheptanoylcarnitine-ME387455--4096-
tridecenedioate (C13:1-DC)*-ME387456--3051-
trimethoprimTrimethoprimME3874575578C01965,D001453637-
tryptophanTryptophanME3874586305C000782291-
tyramine O-sulfateTyramine-O-sulfateME387459153005-1565-
tyrosineTyrosineME3874606057C000821322-
umbelliferone sulfateUmbelliferone sulfateME387461129659-2440-
urateUric acidME3874621175C00366757.1-
uric acid ribonucleoside*3-(beta-D-Ribofuranosyl)uric acidME387463164933-1200-
uridineUridineME3874646029C002991457.6-
Urolithin B glucuronide-ME387465--3384-
valerate (5:0)Valeric acidME3874667991C008031718-
valproate (2-propylpentanoate)Valproic acidME3874673121C071853885.6-
valproic acid glucuronideValproic acid glucuronideME38746888111-4122-
vanillactateVanillactic acidME387469160637-1625-
vanillic acid glycine-ME3874703083688-1682-
vanillic alcohol sulfate-ME387471--1808-
vanillylmandelate (VMA)Vanillylmandelic acidME3874721245C05584941-
warfarinWarfarinME387473-C015413790-
xanthosineXanthosineME38747464959C017621075-
xanthurenateXanthurenic acidME3874755699C024701476-


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1,6-anhydroglucoseGlucosanME3874762724705-1175.5-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME387477677C040391050-
2,4,6-trihydroxybenzoate2,4,6-Trihydroxybenzoic acidME38747866520-781-
2-aminoadipatealpha-Aminoadipic acidME387479469C009563500-
2-hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME387480--1065-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME387481--1258-
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME38748211970C05852858.6-
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME387483161227C002041900-
2-ketocaprylate2-Keto-octanoic acidME38748467600-805-
2R,3R-dihydroxybutyrate4-Deoxyerythronic acidME38748513120901-1543-
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME38748610964471-1660-
3-(2-methoxyethoxy)propanoic acid3-(2-Methoxyethoxy)propanoic acidME38748916718874-1382-
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME387487--2204-
3,5-dichloro-2,6-dihydroxybenzoic acid3,5-Dichloro-2,6-dihydroxybenzoic acidME387488--693-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME3874901662C037612850-
3-hydroxyadipate*3-Hydroxy-adipic acidME387491151913-3131-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME387492151492-1082-
3-hydroxyhippurate sulfate-ME387493186339-1528-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME38749487C060011619-
3-methyladipate3-Methyladipic acidME38749512292-2865-
3-methylglutaconate3E-Methylglutaconic acidME3874961551553-2700-
4-hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME387497599C011273073-
4-ureidobutyrate-ME3874981571307-2217.5-
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME38749988299C163661710-
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME387500108214C163651424-
allantoinAllantoinME387501204C023501672-
allo-threonineAllothreonineME38750299289C055192511.1-
alpha-ketobutyrate3-Methyl pyruvic acidME38750358C00109940-
alpha-ketoglutaramate*2-Keto-glutaramic acidME38750448-1916-
alpha-ketoglutarate2-Oxoglutaric acidME38750551C000262700-
arabinoseArabinoseME38750666308C002161804.5-
arabitol/xylitolArabitolME387507--1932.4-
arabonate/xylonateArabinonic acid/Xylonic acidME387508--2700-
ascorbic acid 2-sulfate-ME38750986484-3042-
beta-hydroxyisovalerylglycine-ME387510129651821-1404-
carboxysuccinate-ME387511313489-4844-
chiro-inositol1D-chiro-InositolME387512-C198913191.2-
citraconate/glutaconateCitraconic acid/Glutaconic acidME387513--2600-
cysteine s-sulfateCysteine-S-sulfateME387514115015C058242273-
decadienedioic acid (C10:2-DC)-ME387515--2329.7-
dihydrocaffeate sulfate (2)Dihydrocaffeic acid 3-sulfateME387516--1328-
dihydroorotate4,5-Dihydroorotic acidME387517648C003371910-
erythritolErythritolME387518222285C005031491-
erythronate*Erythronic acidME3875192781043-2186-
ethylmalonateEthylmalonic acidME38752011756-2785-
fructoseFructoseME3875215984C000952065-
fumarateFumaric acidME387522444972C001223084-
galactonateGalactonic acidME387523128869C008803085-
gluconateGluconic acidME38752410690C002572922-
glucoseGlucoseME3875255793C000312342-
glucuronateGlucuronic acidME387526444791C001913233.3-
glutarate (C5-DC)Glutaric acidME387527743C004892900-
glycerateGlyceric acidME387528752C002582070.4-
glycolate (hydroxyacetate)Glycolic acidME387529757C001601790.4-
guanidinoacetateGuanidoacetic acidME387530763C005812884-
gulonate*Gulonic acidME387531152304C002572750-
heptenedioate (C7:1-DC)*-ME387532--2816-
homocitrullineHomocitrullineME38753365072C024273006.8-
hydantoin-5-propionateHydantoin-5-propionic acidME387534782C055652080-
hypotaurineHypotaurineME387535107812C005192763.4-
maleateMaleic acidME387536444266C013842640-
malonateMalonic acidME387537867C003833447-
maltoseMaltoseME38753810991489C002083329.4-
mannitol/sorbitolSorbitolME3875395780C007942320-
mannonate*Mannonic acidME3875403246006-2736-
mannoseMannoseME38754118950C001592200-
methylmalonate (MMA)Methylmalonic acidME387542487C021703078.4-
methylsuccinateMethylsuccinic acidME38754310349-2800-
myo-inositolMyo-inositolME387544892C001373506.3-
N2-acetyllysineN(2)-AcetyllysineME38755192907C129893372.6-
N-acetylcarnosineN-AcetylcarnosineME3875459903482-2287-
N-acetylglutamineN-AcetylglutamineME387546182230C027162140-
N-acetylglycineN-AcetylglycineME38754710972-1780-
N-acetylhistidineN-AcetylhistidineME38754875619C029972088-
N-acetylserineN-AcetylserineME38754965249-2000-
N-methyltaurineN-MethyltaurineME3875507882-1650-
orotateOrotic acidME387552967C002951638.1-
orotidineOrotidineME38755392751-2250-
oxypurinolOxypurinolME3875544644D023651656-
pentose acid*Valeric acidME387555--2180-
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME38755674483C18142662-
pimelate (C7-DC)Pimelic acidME387557385C026562745-
pyridoxate4-Pyridoxic acidME3875586723C00847846-
quinateQuinic acidME3875596508C002962432.9-
ribitolRibitolME3875606912C004741789.6-
ribonateRibonic acidME3875615460677C016852425-
ribulonate/xylulonate/lyxonate*-ME387562--2350-
salicylateSalicylic acidME387563338C00805802-
succinateSuccinic acidME3875641110C000423149-
succinoyltaurine-ME387565--2572-
threonateThreonic acidME387566151152C016202384-
trans-urocanateUrocanic acidME387567736715C007851882.5-
uracilUracilME3875681174C001061089.7-
valsartanValsartanME3875695650-850-
xanthineXanthineME3875701188C003852023-
xyloseXyloseME387571135191C001811727-


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