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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10,11-dihydro-10-hydroxycarbamazepine-ME740195114709C07493--
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME74007475810C05828--
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME7401426451814NA--
1-methylguanidineMethylguanidineME74005810111C02294--
1-methylnicotinamide1-Methyl nicotinamideME739971457C02918--
1-methylurate1-Methyluric acidME74009069726C16359--
1-methylxanthine1-MethylxanthineME74009280220C16358--
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME740115440569C05131--
2,3-dihydroxypyridine2,3-DihydroxypyridineME74006228115NA--
2-amino-4-cyanobutanoate-ME740107-NA--
2-aminobutyrate2-Aminobutyric acidME74003180283C02356--
2-aminoheptanoate2-Aminoheptanoic acidME740168227939NA--
2-furoylcarnitine-ME740197-NA--
2-hydroxycarbamazepine-ME740194129274C16601--
2-hydroxyglutarate2-Hydroxyglutaric acidME74012443C02630--
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME7401036426901NA--
2-methylserine2-MethylserineME74018594309C02115--
2'-O-methylcytidine2'-O-MethylcytidineME740189150971NA--
2-oxoarginine*2-OxoarginineME740141558C03771--
2-piperidinone2-PiperidinoneME74016312665NA--
2-pyrrolidinone2-PyrrolidinoneME74006812025NA--
3-amino-2-piperidone3-Amino-2-piperidoneME7402075200225NA--
3-aminoisobutyrate3-Aminoisobutanoic acidME74003064956C05145--
3-(cystein-S-yl)acetaminophen*3-(Cystein-S-yl)acetaminophenME740118171264NA--
3-formylindole1H-Indole-3-carboxaldehydeME74020310256C08493--
3-hydroxybutyroylglycine**-ME740200-NA--
3-hydroxycarbamazepine-ME740193135290C16602--
3-hydroxyhexanoylcarnitine (1)CAR 6:0;3OHME740217-NA--
3-hydroxyindolin-2-one3-Hydroxyindolin-2-oneME7401536097C11130--
3-hydroxyoctanoylcarnitine (1)CAR 8:0;3OHME740228-NA--
3-hydroxyoctanoylcarnitine (2)CAR 8:0;3OHME740229-NA--
3-hydroxypyridine glucuronide-ME740215-NA--
3-hydroxystachydrine*3-HydroxystachydrineME74019846173781C10151--
3-methoxytyrosine3-MethoxytyrosineME7400439307NA--
3-methylcytidine3-MethylcytidineME74010014237477NA--
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME740172128145NA--
3-phosphoglycerate3-Phosphoglyceric acidME739972724C00597--
3-ureidopropionateUreidopropionic acidME740027111C02642--
4-acetamidobutanoate4-Acetamidobutanoic acidME74002918189C02946--
4-guanidinobutanoate4-Guanidinobutanoic acidME740049500C01035--
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME740133439902C03079--
4-hydroxyphenylacetoylcarnitine-ME740181-NA--
4-imidazoleacetateImidazoleacetic acidME74007396215C02835--
5,6-dihydrothymineDihydrothymineME73997393556C00906--
5-(galactosylhydroxy)-lysine5-(Galactosylhydroxy)-lysineME74013066995551NA--
5-hydroxylysine5-HydroxylysineME7400483032849C16741--
5-hydroxymethyl-2-furoylcarnitine*-ME740223-NA--
5-methylthioadenosine (MTA)5'-MethylthioadenosineME739979439176C00170--
7-methylguanine7-MethylguanineME740099135398679C02242--
7-methylurate7-Methyluric acidME74012869160C16355--
7-methylxanthine7-MethylxanthineME74008968374C16353--
8-methoxykynurenate-ME74020676230C05830--
acetoacetateAcetoacetic acidME74003596C00164--
acetylcarnitine (C2)CAR 2:0ME7400607045767C02571--
adenosine 5'-monophosphate (AMP)AMPME7399786083C00020--
adipoylcarnitine (C6-DC)CAR DC5:0ME74018071296139NA--
alanineAlanineME7400155950C00041--
alliinAlliinME74015187310C08265--
alpha-hydroxymetoprololalpha-HydroxymetoprololME740178114962NA--
anthranilate2-Aminobenzoic acidME740041227C00108--
argininate*Argininic acidME740140160437NA--
arginineArginineME7399806322C00062--
asparagineAsparagineME7400216267C00152--
aspartateAspartic acidME7399815960C00049--
atenololAtenololME7401372249D00235--
benzoylecgonineBenzoyl ecgonineME740144448223C10847--
beta-alaninebeta-AlanineME739982239C00099--
beta-guanidinopropanoate3-Guanidinopropanoic acidME74009467701C03065--
betaineBetaineME740012247C00719--
butyrylcarnitine (C4)CAR 4:0ME740066439829C02862--
caffeineCaffeineME7400192519C07481--
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME7401472572NA--
carnitineCarnitineME740045288C00487,C00308--
carnosineCarnosineME739983439224C00386--
cephalexin-ME74019127447C06895--
cholineCholineME740040305C00114--
choline phosphateCholine phosphateME7399841014C00588--
cimetidineCimetidineME7401582756D00295,C06952--
citrullineCitrullineME7399939750C00327--
cotinineCotinineME740018408NA--
creatineCreatineME740036586C00300--
creatinineCreatinineME739985588C00791--
cyclo(gly-pro)Cyclo(Gly-Pro)ME740121193540NA--
cys-gly, oxidizedCYS-GLY, oxidizedME740037333293NA--
cystathionineCystathionineME739988439258C02291--
cysteineCysteineME7400135862C00097--
cysteine-glutathione disulfideS-Glutathionyl-cysteineME7400973080690R00900--
cysteine s-sulfateCysteine-S-sulfateME740061115015C05824--
cysteine sulfinic acid3-Sulfino-alanineME740125109C00606--
cysteinylglycineCys-GlyME739986439498C01419--
cysteinylglycine disulfide*Cysteinylglycine disulfideME74013122833544NA--
cystineCystineME73998767678C00491--
cytidineCytidineME7400176175C00475--
cytosineCytosineME740020597C00380--
deoxycarnitine3-DehydroxycarnitineME74011422620C01181--
dimethylarginine (SDMA + ADMA)DimethylarginineME740119-C21189,C03626--
dimethylglycineDimethylglycineME740014673C03626--
dimethyl sulfoneDimethyl sulfoneME7401626213C11142--
doxylamineDoxylamineME7401563162D07878--
ectoineEctoineME740113126041C06231--
ergothioneineErgothioneineME7401265351619C05570--
formiminoglutamateFormiminoglutamic acidME740132439233C00439--
fructosyllysineFructosyllysineME7401709839580NA--
gamma-carboxyglutamategamma-Carboxy-glutamic acidME74013440772NA--
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME740102-NA--
gamma-glutamylalaninegamma-GlutamylalanineME740120440103C03738--
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME74019065254NA--
gamma-glutamylcitrulline*-ME740204-NA--
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME7400757015685NA--
gamma-glutamylglutamategamma-Glutamylglutamic acidME73998992865C05282--
gamma-glutamylglutaminegamma-GlutamylglutamineME740032150914C05283--
gamma-glutamylglycinegamma-GlutamylglycineME740079100099NA--
gamma-glutamylhistidinegamma-GlutamylhistidineME7400387017195NA--
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME74010122885096NA--
gamma-glutamylleucinegamma-GlutamylleucineME740042151023NA--
gamma-glutamylmethioninegamma-GlutamylmethionineME7400827009567NA--
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME740056111299NA--
gamma-glutamylthreoninegamma-GlutamylthreonineME74008376078708NA--
gamma-glutamylvalinegamma-GlutamylvalineME7400707015683NA--
glutamateGlutamic acidME74000733032C00025,C00217--
glutamineGlutamineME7400085961C00064--
glutamine conjugate of C6H10O2 (1)*-ME740205-NA--
glutarylcarnitine (C5-DC)CAR DC5:0ME74010971317118NA--
glycerol 3-phosphatesn-Glycero-3-phosphateME740050754C0093--
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME740112123874C01233--
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME74005371920C00670--
glycineGlycineME739990750C00037--
guanidinoacetateGuanidoacetic acidME739991763C00581--
hexanoylcarnitine (C6)CAR 6:0ME7400596426853NA--
homoarginineHomoarginineME7400649085C01924--
homostachydrine*(S)-HomostachydrineME740108441447C08283--
hydroxyasparagine**HydroxyasparagineME74019915991574C20631--
hydroxybupropionHydroxybupropionME740081446NA--
hydroxycotininetrans-3-HydroxycotinineME740136107963NA--
hydroxy-N6,N6,N6-trimethyllysine*-ME740224-NA--
hypoxanthineHypoxanthineME739974-C00262--
imidazole lactateImidazolelactic acidME740051793C05568--
imidazole propionateImidazole propanoateME74015070630NA--
iminodiacetate (IDA)IminodiacetateME7400638897C19911--
indoleacetoylcarnitine*-ME740210-NA--
indolin-2-oneIndolin-2-oneME740165321710C12312--
isobutyrylcarnitine (C4)CAR 3:0;2MeME740067168379NA--
isoleucineIsoleucineME7399926306C06418,C00407,C16424--
isovalerylcarnitine (C5)CAR 4:0;3MeME740088169235C20826--
ketopioglitazone-ME7401615201446NA--
kynurenineKynurenineME740052161166C00328--
lamivudineLamivudineME74022260825C07065--
lanthionineLanthionineME74015498504NA--
leucineLeucineME7399946106C00123--
leucylglycineLeu-GlyME74014679070NA--
levulinoylcarnitine-ME740225-NA--
lidocaineLidocaineME7401053676D00358--
lysineLysineME7399955962C00739,C00047--
malonylcarnitineCAR DC3:0ME74010422833583NA--
meglumine-ME7401668567NA--
metforminMetforminME7401294091C07151--
methionineMethionineME7399966137C00073--
methionine sulfoneMethionine sulfoneME74016969961NA--
methionine sulfoxideMethionine sulfoxideME740047158980C02989--
methyl indole-3-acetateIndole-3-methyl acetateME74002874706NA--
methylsuccinoylcarnitine-ME740187-NA--
methylureaN-MethylureaME74009111719C16363--
metoprolol acid metabolite*-ME74008762936NA--
minocyclinMinocyclineME740220-D05045,C07225--
N1-methyladenosine1-MethyladenosineME74003927476C02494--
N1-methylinosine1-MethylinosineME740093650095NA--
(N(1) + N(8))-acetylspermidineAsparagineME740196-C01029,C00612--
N2-acetyl,N6-methyllysineN2-Acetyl,N6-methyllysineME740214-NA--
N2-acetyl,N6,N6-dimethyllysineN2-Acetyl,N6,N6-dimethyllysineME740213-NA--
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME740095135501639NA--
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME740117123800NA--
N6-methyllysineN(6)-MethyllysineME740149164795C02728--
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME740209193344C05545--
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME739976440120C03793--
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME74016453859791NA--
N-acetylarginineN-AcetylarginineME74007667427C02562--
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME740111188803C12270--
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME740179-C01074--
N-acetylglucosaminylasparagineAspartylglycosamineME740034123826C04540--
N-acetylglycineN-AcetylglycineME74006510972NA--
N-acetylhistidineN-AcetylhistidineME74007875619C02997--
N-acetylisoleucineN-AcetylisoleucineME740077306109NA--
N-acetyl-isoputreanineN-AcetylisoputreanineME740211131802901NA--
N-acetylneuraminateN-Acetylneuraminic acidME740033439197C00270--
N-acetylprolineN-Acetyl-prolineME740086322640NA--
N-acetylputrescineN-AcetylputrescineME739977122356C02714--
N-acetyltheanine-ME740212-NA--
N-alpha-acetylornithineN-AcetylornithineME740054439232C00437--
N-carbamoylalanineN-CarbamoylalanineME740174426409NA--
N-ethylglycinexylidideMonoethylglycinexylidideME74010624415C16561--
nicotinamideNiacinamideME739997936C00153--
nicotinamide N-oxideNicotinamide N-oxideME74013972661NA--
nicotinateNicotinic acidME740011938C00253--
nicotinate ribonucleosideD-RibosylnicotinateME740084161233C05841--
nicotinurate (nicotinoylglycine)Nicotinuric acidME74009868499C05380--
N-methylhydroxyproline**N-Methyl-4-hydroxyprolineME7402019860390NA--
N-methylpipecolateN-methyl pipecolic acidME74017111286529NA--
N-methylprolineN-Methyl-prolineME740123643474NA--
N,N-dimethyl-5-aminovalerateN,N-Dimethyl-5-aminovaleric acidME740218-NA--
N,N-dimethylalanineN,N-DimethylalanineME7402085488191NA--
N,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-5-aminovalerateME74019214274897NA--
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME740202-NA--
norcotinineNorcotinineME740135413NA--
O-desmethyltramadolO-DesmethyltramadolME7401769838803NA--
O-desmethyltramadol glucuronide-ME74017729919005NA--
O-desmethylvenlafaxineDesvenlafaxineME740159125017D07793--
ofloxacinOfloxacinME7400574583D00453,C07321,DG00616--
ornithineOrnithineME7399986262C00077--
phenylacetylcarnitine-ME740173101724840NA--
phenylacetylglutaminealpha-N-PhenylacetylglutamineME74009692258C04148--
phenylalaninePhenylalanineME7399996140C00079--
phosphatePhosphoric acidME7400001061C00009--
phosphoethanolaminePhosphoethanolamineME7400261015C00346--
picolinatePicolinic acidME7400231018C10164--
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME740188-NA--
pioglitazonePioglitazoneME7400854829D08378,C07675,DG00117--
pipecolatePipecolic acidME740025-NA--
pregabalinPregabalinME7401835486971NA--
pro-hydroxy-proPro-hydroxyProME74007211902893NA--
prolineProlineME740001-C00148,C000763--
prolylglycinePro-GlyME7401526426709NA--
propionylcarnitine (C3)CAR 3:0ME740071107738C03017--
quinineQuinineME7401453034034C06526--
quinolinateQuinolinic acidME7399751066C03722--
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME74015553481617NA--
ranitidineRanitidineME7401383001055D00422--
ranitidine N-oxide*-ME74021662985NA--
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME73996911966181C04322--
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME74018671464477NA--
(S)-a-amino-omega-caprolactamL-2-aminohexano-6-lactamME740226-C02837--
S-allylcysteineS-AllylcysteineME74016798280NA--
sarcosineSarcosineME7400241088C00213--
S-carboxyethylcysteine-ME740227-NA--
serineSerineME7400025951C00065--
serotoninSerotoninME7400035202C00780--
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME74014382142NA--
S-methylmethionineS-MethylmethionineME740127458C05319--
spermidineSpermidineME7399701102C00315--
spermineSpermineME7400041103C00750--
stachydrineStachydrineME740080115244C10172--
suberoylcarnitine (C8-DC)CAR DC8:0ME740182-NA--
succinylcarnitine (C4-DC)CAR DC4:0ME74012271464481NA--
tamsulosinTamsulosinME740221129211D08560,C07124--
taurineTaurineME7400051123C00245--
theobromineTheobromineME7400555429C07480--
thioprolineThioprolineME74018493176NA--
threonineThreonineME7400096288C00188--
tiglylcarnitine (C5:1-DC)CAR DC5:1ME74011022833596NA--
topiramateTopiramateME7400445284627D00537--
tramadolTramadolME74017533741C07153--
trans-4-hydroxyprolinetrans-4-HydroxyprolineME7400225810C01157--
triamtereneTriamtereneME7401575546D00386--
trigonelline (N'-methylnicotinate)TrigonellineME7400695570C01004--
trimethoprimTrimethoprimME7402195578C01965,D00145--
trimethylamine N-oxideTrimethylamine N-oxideME7401481145C01104--
tryptophanTryptophanME7400106305C00078--
tryptophan betaineLenticinME740116442106C09213--
tyrosineTyrosineME7400166057C00082--
ureaUreaME7400061176C00086--
X-11795-ME740230-NA--
X-12096-ME740231-NA--
X-12100-ME740232-NA--
X-12101-ME740233-NA--
X-12112-ME740234-NA--
X-12117-ME740235-NA--
X-12125-ME740236-NA--
X-12126-ME740237-NA--
X-12127-ME740238-NA--
X-12199-ME740239-NA--
X-12283-ME740240-NA--
X-12462-ME740241-NA--
X-12680-ME740242-NA--
X-12689-ME740243-NA--
X-12753-ME740244-NA--
X-12798-ME740245-NA--
X-13507-ME740246-NA--
X-13684-ME740247-NA--
X-14056-ME740248-NA--
X-15461-ME740249-NA--
X-15666-ME740250-NA--
X-16397-ME740251-NA--
X-16580-ME740252-NA--
X-17301-ME740253-NA--
X-17306-ME740254-NA--
X-17346-ME740255-NA--
X-21283-ME740256-NA--
X-22162-ME740257-NA--
X-23581-ME740258-NA--
X-23583-ME740259-NA--
X-23587-ME740260-NA--
X-23593-ME740261-NA--
X-23636-ME740262-NA--
X-23639-ME740263-NA--
X-23644-ME740264-NA--
X-23648-ME740265-NA--
X-23654-ME740266-NA--
X-23655-ME740267-NA--
X-23659-ME740268-NA--
X-23665-ME740269-NA--
X-23739-ME740270-NA--
X-23780-ME740271-NA--
X-23997-ME740272-NA--
X-24243-ME740273-NA--
X-24410-ME740274-NA--
X-24411-ME740275-NA--
X-24422-ME740276-NA--
X-24425-ME740277-NA--
X-24431-ME740278-NA--
X-24456-ME740279-NA--
X-24457-ME740280-NA--
X-24462-ME740281-NA--
X-24473-ME740282-NA--
X-24474-ME740283-NA--
X-24475-ME740284-NA--
X-24699: ret for 64571-ME740285-NA--
X-24728-ME740286-NA--
X-24736-ME740287-NA--
X-24764-ME740288-NA--
X-24801-ME740289-NA--
X-24811-ME740290-NA--
X-24812-ME740291-NA--
X-24970-ME740292-NA--
X-24973-ME740293-NA--
X-25109-ME740294-NA--
X-25172-ME740295-NA--
X-25217-ME740296-NA--
X-25265-ME740297-NA--
X-25267-ME740298-NA--
X-25271-ME740299-NA--
X-25343-ME740300-NA--
X-25417-ME740301-NA--
X-25419-ME740302-NA--
X-25420-ME740303-NA--
X-25422-ME740304-NA--
X-25423-ME740305-NA--
X-25519-ME740306-NA--
X-25520-ME740307-NA--
X-25790-ME740308-NA--
X-25810-ME740309-NA--
X-25828-ME740310-NA--
X-25855-ME740311-NA--
X-25948-ME740312-NA--
X-25951-ME740313-NA--
X-25952-ME740314-NA--
X-25957-ME740315-NA--
X-26008-ME740316-NA--
X-26097-ME740317-NA--
xanthurenateXanthurenic acidME7400465699C02470--
zolpidemZolpidemME7401605732C07219--


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-hydroxywarfarin-ME74052854692492NA--
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME740398-NA--
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME740444-NA--
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME74044052925126NA--
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...PC P-16:0/18:2 or PC O-16:1/18:2ME74044324779386NA--
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...PE P-16:0/18:2 or PE O-16:1/18:2ME74045252925127NA--
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1 or PC O-16:1/18:1ME74044234779384NA--
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*PE P-16:0/18:1 or PE O-16:1/18:1ME74044152925128NA--
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...PC P-16:0/16:1 or PC O-16:1/16:1ME74045752923882NA--
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...PC P-16:0/16:0 or PC O-16:1/16:0ME74045811146967NA--
1-(1-enyl-palmitoyl)-GPC (P-16:0)*LPC P-16:0 or LPC O-16:1ME74038310917802NA--
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME740385-NA--
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME7404399547058NA--
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*PE P-18:0/18:2 or PE O-18:1/18:2ME740461-NA--
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME74041942607457NA--
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME740386-NA--
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME7404145288075NA--
1,2-dilinoleoyl-GPE (18:2/18:2)*PE 18:2/18:2ME7404599546812NA--
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME740342452110D03585--
1-arachidonoyl-GPC (20:4n6)*LPC 20:4/0:0ME74035724779476C05208--
1-arachidonoyl-GPE (20:4n6)*LPE 20:4/0:0ME74036142607465NA--
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME74038224779481NA--
1-linolenoyl-GPC (18:3)*LPC 18:3ME740397-C04100--
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*PC 18:2/20:4ME74045524778979C05208--
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME74046752922731NA--
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME74036052925130NA--
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*PC 14:0/20:4ME74045624778634NA--
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME740343129657NA--
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*PE 18:1/20:4ME740460348281223NA--
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*PC 18:1/22:6ME74045424778955NA--
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*PE 18:1/18:2ME7404539546753NA--
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME74035116081932C03916--
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME7403599547071NA--
1-oleoyl-GPS (18:1)LPS 18:1/0:0ME74034085036846NA--
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*PC 16:1_18:3ME74046852922452NA--
1-palmitoleoyl-GPC (16:1)*LPC 16:1/0:0ME74035624779461NA--
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME74041610747814C05208--
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*PE 16:0/20:4ME7404339546800C05210--
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*PI 16:0/20:4ME740436-NA--
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME7404176441886NA--
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*PE 16:0/22:6ME7404349546799NA--
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME7403325287971NA--
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME7403649546747NA--
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME7403346436017C13875--
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME7403315283496NA--
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME7404326443788NA--
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME74042124778686C03889--
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME74034786554C04102--
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME7403589547069NA--
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME74036316219824NA--
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME7404305289133C05210--
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME740338-NA--
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)PS 18:0/20:4ME74036524779545NA--
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME74041824778876NA--
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*PE 18:0/22:6ME7404359546798NA--
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME7404316441487NA--
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*PE 18:0/18:2ME7404299546749NA--
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME740437-NA--
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME74041524778825NA--
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME7403629546742NA--
1-stearoyl-2-oleoyl-GPS (18:0/18:1)PS 18:0/18:1ME7403419547087NA--
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME740350497300NA--
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME7403549547068NA--
3-hydroxydecanoylcarnitineCAR 10:0;3OHME740539121454166NA--
3-hydroxyoleoylcarnitineCAR 18:1(9Z);3OHME740520129637446NA--
4-cholesten-3-oneCholestenoneME74037491477C00599--
4-oxo-retinoic acid-ME7403816437063NA--
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME74051991825571NA--
7-hydroxywarfarin-ME740529-NA--
alpha-tocopherolalpha-TocopherolME74032686472C02477--
arachidonoylcarnitine (C20:4)CAR 20:4ME740508136212424NA--
arachidonoylcholineArachidonoylcholineME740465122198216NA--
arachidoylcarnitine (C20)*CAR 20:0ME74050453477833NA--
behenoylcarnitine (C22)*CAR 22:0ME74050371464577NA--
behenoyl dihydrosphingomyelin (d18:0/22:0)*SM 18:0;O2/22:0ME74044644260132NA--
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME74040844260125NA--
benazeprilBenazeprilME7405235362124D07499,C06843--
beta-cryptoxanthinCryptoxanthinME7403715281235C08591--
bilirubin (E,E)*BilirubinME740369129320511NA--
bilirubin (E,Z or Z,E)*BilirubinME7403705799469C00486--
bilirubin (Z,Z)BilirubinME7403255280352C00486--
biliverdinBiliverdinME7403185280353C00500--
candesartanCandesartanME7404042541C07468--
carbamazepineCarbamazepineME7403682554C06868,D00252--
carbamazepine 10,11-epoxide-ME7403762555C07496--
carotene diol (1)Carotene diolME740516-NA--
carotene diol (2)Carotene diolME740517-NA--
carotene diol (3)Carotene diolME740518-NA--
ceramide (d16:1/24:1, d18:1/22:1)*Cer 40:2;O2ME740482-NA--
ceramide (d18:1/14:0, d16:1/16:0)*Cer 36:1;O2ME740484-NA--
ceramide (d18:1/17:0, d17:1/18:0)*Cer 35:1;O2ME740485-NA--
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*Cer 38:1;O2ME740490-NA--
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME740486-NA--
cerotoylcarnitine (C26)*CAR 26:0ME74050653477828NA--
cetirizineCetirizineME7404502678C07778--
cholesterolCholesterolME740319-C00187--
cis-3,4-methyleneheptanoylcarnitine-ME740541-NA--
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME74037557357170NA--
citalopram/escitalopramEscitalopramME740389146570D07913--
citalopram N-oxide*-ME74052610068142C16607--
clarithromycinClarithromycinME74053084029C06912,D00276--
darunavirDarunavirME740535213039D03656--
decanoylcarnitine (C10)CAR 10:0ME74034610245190NA--
De(carboxymethoxy) cetirizine acetic acid-ME740542-NA--
deoxycholateDeoxycholic acidME740321-C04483--
desmethylcitalopram*N-DesmethylcitalopramME740524162180C16608--
didesmethylcitalopram*-ME740525162976C16609--
dihomo-linolenoylcarnitine (C20:3n3 or 6)*CAR 20:3ME740511-NA--
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME740510-NA--
diltiazemDiltiazemME74039139186D07845--
diphenhydramineDiphenhydramineME7403783100C06960--
diphenoxylateDiphenoxylateME74052213505C07872--
docosahexaenoylcarnitine (C22:6)*CAR 22:6ME740512-NA--
docosahexaenoylcholine-ME740466-NA--
docosapentaenoylcarnitine (C22:5n3)*CAR 22:5ME74051471464594NA--
donepezil-ME7405313152D07869--
doxycyclineDoxycyclineME74038754671203D00307--
eicosenoylcarnitine (C20:1)*CAR 20:1ME740509-NA--
enalaprilEnalaprilME7404225388962C06977,D03769,DG00335--
ezetimibe-ME740427150311D01966--
fexofenadineFexofenadineME7403923348C06999--
fluoxetineFluoxetineME7403283386D00326--
gamma-tocopherol/beta-tocopherolbeta-tocopherolME740438-C14152,C02483--
glycodeoxycholateGlycodeoxycholic acidME7403373035026C05464--
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME740515-NA--
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*HexCer 41:2;O2ME740488-NA--
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*HexCer 42:3;O2ME740487-NA--
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...-ME740489-NA--
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*HexCer 18:2;O2/22:0ME740478-NA--
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME740463-NA--
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME740367-NA--
hexadecasphingosine (d16:1)*C16 SphingosineME74048114767871NA--
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**-ME740536-NA--
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*LacCer 18:1;O2/22:0ME74047644260143NA--
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME740475-NA--
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME74044953477895NA--
lamotrigineLamotrigineME7404693878D00354--
laurylcarnitine (C12)CAR 12:0ME740353168381NA--
lignoceroylcarnitine (C24)*CAR 24:0ME740505-NA--
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME740411-NA--
linolenoylcarnitine (C18:3)*CAR 18:3ME740502-NA--
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*DG 18:2_20:4ME7404719543796NA--
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME7404729543796NA--
linoleoylcarnitine (C18:2)*CAR 18:2ME7403886450015NA--
linoleoylcholine*alpha-LinoleoylcholineME74049253481656NA--
losartanLosartanME7405343961C07072,D08146--
L-urobilinL-UrobilinME7403775280818C05793--
margaroylcarnitine (C17)*CAR 17:0ME74039453477803NA--
meloxicamMeloxicamME74053354677470D00969,C08169--
methadoneMethadoneME7405374095D08195,C07163--
metoprololMetoprololME7403364171D02358--
montelukastSM 18:0;O2/14:0ME7405325281040C07482--
myristoleoylcarnitine (C14:1)*CAR 14:1ME740403129691961NA--
myristoylcarnitine (C14)CAR 14:0ME7403496426854NA--
myristoyl dihydrosphingomyelin (d18:0/14:0)*SM 18:0;O2/14:0ME74045144260138NA--
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME740477-NA--
N-desalkylquetiapine*Cer 17:1;O2/16:0ME74052711369918NA--
nervonoylcarnitine (C24:1)*CAR 24:1ME740513-NA--
nonanoylcarnitine (C9)CAR 9:0ME74041391825642NA--
norfluoxetine-ME7403904541NA--
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*-ME740483-NA--
N-palmitoyl-sphingadienine (d18:2/16:0)*Cer 18:2;O2/16:0ME740474-NA--
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME7404485283572NA--
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME7403305283564NA--
N-stearoyl-sphingadienine (d18:2/18:0)*Cer 18:2;O2/18:0ME740479132282053NA--
N-stearoyl-sphinganine (d18:0/18:0)*Cer 18:0;O2/18:0ME7403245283573NA--
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME7403355283565NA--
octadecanedioylcarnitine (C18-DC)*CAR DC18:0ME740402-NA--
octadecenedioylcarnitine (C18:1-DC)*CAR DC18:1ME740401-NA--
octanoylcarnitine (C8)CAR 8:0ME740345-C02838--
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*DG 18:1_20:4ME7404739543786NA--
oleoylcarnitine (C18:1)CAR 18:1ME7403556441392NA--
oleoylcholineOleoylcholineME74046459040790NA--
oleoyl ethanolamideOleoyl-EAME7403275283454NA--
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME74038471433693NA--
palmitoleoylcarnitine (C16:1)*CAR 16:1ME74047071464547NA--
palmitoylcarnitine (C16)CAR 16:0ME740344461C02990--
palmitoylcholinePalmitoylcholineME740462151731NA--
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME7404239939965NA--
palmitoyl ethanolamidePalmitoyl-EAME7403294671C16512--
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME7403739939941NA--
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...EPC 18:1;O2/16:0ME740540-NA--
piperinePiperineME740348638024C03882--
quetiapineQuetiapineME7403805002D08456,DG00899,C07397--
retinol (vitamin A)RetinolME740323445354C00473--
sertralineSertralineME74037968617C07246--
solifenacin-ME740428154059NA--
sphingadienineSphingadienineME7404806449795NA--
sphinganineSphinganineME7403223126C00836--
sphinganine-1-phosphateSphinganine 1-phosphateME740366520NA--
sphingomyelin (d17:1/14:0, d16:1/15:0)*SM 31:1;O2ME740521-NA--
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...SM 33:1;O2ME740412-NA--
sphingomyelin (d17:2/16:0, d18:2/15:0)*SM 33:2;O2ME740501-NA--
sphingomyelin (d18:0/18:0, d19:0/17:0)*SM 36:0;O2ME74044744260130NA--
sphingomyelin (d18:0/20:0, d16:0/22:0)*SM 38:0;O2ME740494-NA--
sphingomyelin (d18:1/14:0, d16:1/16:0)*SM 32:1;O2ME74039511433862NA--
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME74042046891763NA--
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME7403726443882NA--
sphingomyelin (d18:1/19:0, d19:1/18:0)*SM 37:1;O2ME740495-NA--
sphingomyelin (d18:1/20:0, d16:1/22:0)*SM 38:1;O2ME74040544260124NA--
sphingomyelin (d18:1/20:1, d18:2/20:0)*SM 38:2;O2ME740406-NA--
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)...-ME740407-NA--
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...SM 39:1;O2ME740445-NA--
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...SM 40:2;O2ME740409-NA--
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...SM 40:3;O2ME740410-NA--
sphingomyelin (d18:1/24:1, d18:2/24:0)*SM 42:2;O2ME74040044260126NA--
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...SM 43:1;O2ME740500-NA--
sphingomyelin (d18:2/14:0, d18:1/14:1)*SM 32:2;O2ME740399-NA--
sphingomyelin (d18:2/16:0, d18:1/16:1)*SM 34:2;O2ME740396-NA--
sphingomyelin (d18:2/18:1)*SM 18:2;O2/18:1ME74049652931155NA--
sphingomyelin (d18:2/21:0, d16:2/23:0)*SM 39:2;O2ME740498-NA--
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...SM 41:2;O2ME740425134757653NA--
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME740499-NA--
sphingomyelin (d18:2/24:1, d18:1/24:2)*SM 42:3;O2ME74042685336023NA--
sphingomyelin (d18:2/24:2)*SM 18:2;O2/24:2ME740497-NA--
sphingosineSphingosineME7403205280335C00319--
sphingosine 1-phosphateSphingosine 1-phosphateME7403395283560C06124--
stearoylcarnitine (C18)CAR 18:0ME7403523006797NA--
stearoylcholine*StearoylcholineME74049190111NA--
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME7403336453725C00550--
trazodoneTrazodoneME7404935533C07156,D08626--
tricosanoyl sphingomyelin (d18:1/23:0)*SM 18:1;O2/23:0ME740424-NA--
undecenoylcarnitine (C11:1)CAR 11:1ME740538-NA--
verapamilVerapamilME7403932520D02356,C07188,DG00329--
X-13431-ME740543-NA--
X-17162-ME740544-NA--
X-17328-ME740545-NA--
X-17335-ME740546-NA--
X-23641-ME740547-NA--
X-23678-ME740548-NA--
X-23680-ME740549-NA--
X-23767-ME740550-NA--
X-23782-ME740551-NA--
X-26107-ME740552-NA--
ximenoylcarnitine (C26:1)*CAR 26:1ME740507-NA--


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 acidME7406925312435NA--
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME7406915312513NA--
10-undecenoate (11:1n1)10-Hendecenoic acidME74067914891C13910--
11beta-hydroxyandrosterone glucuronide-ME741028-NA--
11beta-hydroxyetiocholanolone glucuronide*-ME741029-NA--
11-ketoetiocholanolone glucuronide-ME740864-NA--
12,13-DiHOME12,13-DiHOMEME74055310236635C14829--
1,2,3-benzenetriol sulfate (1)-ME740910-NA--
1,2,3-benzenetriol sulfate (2)-ME740911-NA--
1,3,7-trimethylurate1,3,7-Trimethyluric acidME74070579437C16361--
1,3-dimethylurate1,3-Dimethyluric acidME74066970346NA--
13-HODE + 9-HODEHODEME740789-C14767,C14762--
(14 or 15)-methylpalmitate (a17:0 or i17:0)Methylpalmitic acidME740816-C16995--
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME74063664960C07326--
16alpha-hydroxy DHEA 3-sulfate-ME74078520848950NA--
16-hydroxypalmitateJuniperic acidME74081910466C18218--
(16 or 17)-methylstearate (a19:0 or i19:0)Methyloctadecanoic acidME7407953083779NA--
17alpha-hydroxypregnanolone glucuronide-ME740866-NA--
17alpha-hydroxypregnenolone 3-sulfate-ME740786152971NA--
1,7-dimethylurate1,7-Dimethyluric acidME74070791611C16356--
1-arachidonoyl-GPI (20:4)*LPI 20:4/0:0ME740736121596217NA--
1-arachidonylglycerol (20:4)MG 20:4ME740713-C13857--
1-hydroxy-2-naphthalenecarboxylate1-Hydroxy-2-naphthoateME74079754675865C03203--
1-linoleoylglycerol (18:2)MG 18:2ME7406615283469NA--
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME74070411988421C04100--
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME740931-NA--
1-linoleoyl-GPI (18:2)*LPI 18:2/0:0ME74075211124828NA--
1-methylhistidine1-MethylhistidineME74066292105C01152--
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME7406545283468NA--
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME740868-NA--
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME74075186289645NA--
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME7408693300276NA--
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME74073771296207NA--
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME740637-NA--
1-stearoyl-GPS (18:0)*LPS 18:0/0:0ME74085174819135NA--
21-hydroxypregnanolone monosulfate (2)-ME741030-NA--
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME740768134595NA--
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME740944301941NA--
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME741058-NA--
2,3-diphosphoglycerate2,3-Diphosphoglyceric acidME740605186004C01159--
2,4,6-trihydroxybenzoate2,4,6-Trihydroxybenzoic acidME74074066520NA--
2,4-dichlorophenol sulfate-ME7409029837697NA--
2,4-di-tert-butylphenol2,4-Ditert-butylphenolME741093-NA--
(2,4 or 2,5)-dimethylphenol sulfate-ME741026-NA--
2,6-dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME7410489338NA--
2-acetamidophenol sulfate2-Acetamidophenol sulfateME740893181671NA--
2-aminoadipatealpha-Aminoadipic acidME74057092136C00956--
2-aminooctanoate2-Aminocaprylic acidME74084569522NA--
2-aminophenol sulfate2-Aminophenyl sulfateME740849181670NA--
2-butenoylglycine2-ButenoylglycineME7409656303498NA--
2'-deoxyuridineDeoxyuridineME74058013712C00526--
2-ethylphenylsulfate-ME740759-NA--
2-furoic acid2-Furoic acidME7408446919C04025--
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME740720164623NA--
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME74075586290013NA--
2-hydroxydecanoate2-Hydroxycapric acidME74083421488NA--
2-hydroxyhippurate (salicylurate)Salicyluric acidME74061710253C07588--
2-hydroxyibuprofen2-HydroxyibuprofenME74083810443535NA--
2-hydroxylaurate2-Hydroxylauric acidME74092797783NA--
2-hydroxynervonate*Hydroxynervonic acidME7409515312783NA--
2-hydroxyoctanoate2-Hydroxyoctanoic acidME740643-NA--
2-hydroxypalmitate2-Hydroxypalmitic acidME740725-NA--
2-hydroxyphenylacetate sulfate-ME740917129846758NA--
2-hydroxyphytanate*2-Hydroxyphytanic acidME740852189026NA--
2-hydroxysebacate2-Hydroxy-decanedioic acidME741010128458NA--
2-hydroxystearate2-Hydroxystearic acidME740607-C03042,C03045--
2-ketocaprylate2-Keto-octanoic acidME74104767600NA--
2-linoleoylglycerol (18:2)MG 18:2ME7406575365676NA--
2-methoxyacetaminophen glucuronide*2-Methoxyacetaminophen glucuronideME740757121596203NA--
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME74075686290014NA--
2-methoxyhydroquinone sulfate (1)-ME741091-NA--
2-methoxyhydroquinone sulfate (2)-ME741092-NA--
2-methoxyresorcinol sulfate-ME740892-NA--
2-methylcitrate/homocitrateHomocitric acidME740924-C01251--
2-naphthol sulfate2-Naphthyl sulfateME74102574428NA--
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME7406565319879NA--
2'-O-methyluridine2'-O-MethyluridineME740945102212NA--
(2 or 3)-decenoate (10:1n7 or n8)Decenoic acidME741079-NA--
2-palmitoleoyl-GPC (16:1)*LPC 0:0/16:1ME740722122164832NA--
2-palmitoyl-GPC (16:0)*LPC 0:0/16:0ME74072315061532NA--
2-propyl-2-pentenoate (2-ene-valproate)-ME7409626437068C16653--
2-propyl-4-pentenoate (4-ene-valproate)4-ene-Valproic acidME740873104896NA--
2-stearoyl-GPE (18:0)*LPE 0:0/18:0ME740831-NA--
3-(3-amino-3-carboxypropyl)uridine*3-(3-amino-3-carboxypropyl)uridineME740712171198NA--
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME74073591C11457--
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME740862187488NA--
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME7405629378C03672--
3,5-dichloro-2,6-dihydroxybenzoic acid3,5-Dichloro-2,6-dihydroxybenzoic acidME74107424721632NA--
3,7-dimethylurate3,7-Dimethyluric acidME74070683126C16360--
3-acetylphenol sulfate3-Acetylphenol sulfateME740850-NA--
3beta,7alpha-dihydroxy-5-cholestenoate3beta,7alpha-Dihydroxy-5-cholestenoic acidME7407313081084C17335--
3beta,7beta-dihydroxy-5-cholestenoate-ME740750-NA--
3beta-hydroxy-5-cholenoate3beta-Hydroxy-5-cholenoic acidME74084292997NA--
3beta-hydroxy-5-cholestenoateCholestenoic acidME740909165511C17333--
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*3-Bromo-5-chloro-2,6-dihydroxybenzoic acidME741084134581543NA--
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME740980194501NA--
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME740675123979NA--
3-ethylcatechol sulfate (1)-ME741051-NA--
3-ethylcatechol sulfate (2)-ME741052-NA--
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME740674188979NA--
3-hydroxy-2-methylpyridine sulfate-ME741066-NA--
3-hydroxydecanoate3-Hydroxydecanoic acidME74065826612NA--
3-hydroxydodecanedioate*3-Hydroxy-dodecanedioic acidME74071616663321NA--
3-hydroxyhippurate3-Hydroxyhippuric acidME740784450268NA--
3-hydroxyhippurate sulfate-ME741012186339NA--
3-hydroxylaurate3-Hydroxydodecanoic acidME74067194216NA--
3-hydroxymyristate3-Hydroxytetradecanoic acidME74065316064NA--
3-hydroxyoctanoate3-Hydroxyoctanoic acidME74064526613C20793--
3-hydroxyoleate*-ME740968-NA--
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME740881-NA--
3-hydroxysebacate3-Hydroxysebacic acidME7406733017884NA--
3-hydroxyvalproate3-Hydroxyvalproic acidME740960134459C16651--
3-indoleglyoxylic acid-ME74100873863NA--
3-indoxyl sulfateIndoxyl sulfateME74063410258NA--
3-methoxycatechol sulfate (1)-ME740912129892430NA--
3-methoxycatechol sulfate (2)-ME740913-NA--
3-methoxytyramine sulfate3-Methoxytyramine sulfateME74085854133459NA--
3-methyl-2-oxobutyrateKetoisovaleric acidME74065549C00141--
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME740626-C03465,C06008,C00671--
3-methyl catechol sulfate (1)-ME740837118431379NA--
3-methyl catechol sulfate (2)-ME740835-NA--
3-methylhistidine3-MethylhistidineME74062764969C01152--
3-(methylthio)acetaminophen sulfate*-ME741046-NA--
3-methylxanthine3-MethylxanthineME74067070639C16357--
3-(N-acetyl-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME74061983967NA--
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME740623107C05629--
4-acetamidobenzoate4-Acetamidobenzoic acidME7409416918889D03836--
4-acetamidophenolAcetaminophenME7406091983C06804--
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME740628-NA--
4-acetaminophen sulfateParacetamol sulfateME74062083939C06804--
4-acetylcatechol sulfate (1)-ME741053-NA--
4-acetylcatechol sulfate (2)-ME741054-NA--
4-acetylphenol sulfate4-Acetylphenyl sulfateME7406424684006NA--
4-allylcatechol sulfate-ME741033-NA--
4-allylphenol sulfate4-Allylphenol sulfateME74076066633409NA--
4-chlorobenzoic acid4-Chlorobenzoic acidME7410886318C02370--
4-ethylcatechol sulfate-ME741027-NA--
4-ethylphenylsulfate4-EthylphenolME74074720822574C13637--
4-hydroxychlorothalonil4-HydroxychlorothalonilME74087834217NA--
4-hydroxycoumarin4-HydroxycoumarinME74078054682930C20414--
4-hydroxy duloxetine glucuronide*-ME74103929981512NA--
4-hydroxyhippurate4-Hydroxyhippuric acidME740710151012NA--
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME740556127C00642--
4-hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME740942-NA--
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME740603979C01179--
4-methoxyphenol sulfate4-Methoxyphenol sulfateME740901-NA--
4-methyl-2-oxopentanoateKetoleucineME74063570C00233--
4-methylbenzenesulfonateToluene-4-sulfonic acidME74079685570C06677--
4-methylcatechol sulfate-ME74083654104170NA--
4-methylguaiacol sulfate-ME740883-NA--
4-methylhexanoylglutamine-ME741036-NA--
4-vinylguaiacol glucuronide-ME741073-NA--
4-vinylguaiacol sulfate4-Vinylguaiacol sulfateME74088753803570NA--
4-vinylphenol sulfate4-HydroxystyreneME7407466426766C05627--
5,6-dihydrouridine5,6-DihydrouridineME74071194312NA--
5alpha-androstan-3alpha,17alpha-diol monosulfate-ME740769-NA--
5alpha-androstan-3alpha,17beta-diol 17-glucuronide-ME740863-NA--
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME74077256639109NA--
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME740773-NA--
5alpha-androstan-3alpha,17beta-diol monosulfate (2...-ME740876121596225NA--
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME74077456639109NA--
5alpha-androstan-3beta,17beta-diol disulfate5alpha-Androstane-3beta,17beta-diolME74076190186325C12525--
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME740775-NA--
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME740762118703093NA--
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME740771-NA--
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME740770-NA--
5-dodecenoate (12:1n7)5-Dodecenoic acidME7406845312378NA--
5-hydroxy-2-methylpyridine sulfate-ME741065-NA--
5-hydroxy-6-methoxy duloxetine sulfate*-ME741040-NA--
5-hydroxyvalproate-ME740961135244C16650--
5-methyluridine (ribothymidine)RibothymidineME740714445408NA--
5-oxoprolinePyroglutamic acidME740590-C02237,C01879--
6-bromotryptophan6-BromotryptophanME7410139856996NA--
6-hydroxyindole sulfate6-Hydroxyindole sulfateME740900122198196NA--
6-hydroxywarfarin-ME74104254682459NA--
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME7408533014237NA--
7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME7407303081085C17337--
9,10-DiHOME9,10-DiHOMEME7405579966640C14828--
9-hydroxystearate9-Hydroxy stearic acidME7408709570127NA--
acesulfameAcesulfameME74089536573NA--
acisogaAcisogaME740856129397NA--
aconitate [cis or trans]cis-Aconitic acidME740703-C004174,C02341--
adrenate (22:4n6)Adrenic acidME740678-C16527--
allopurinolAllopurinolME740854135401907D00224--
allopurinol ribosideAllopurinol ribosideME740799135407110NA--
alpha-CEHCalpha-CEHCME7407929943542NA--
alpha-CEHC glucuronide*-ME740820134819285NA--
alpha-CEHC sulfatealpha-CEHC sulfateME740874-NA--
alpha-CMBHC glucuronide-ME740875-NA--
alpha-hydroxycaproate2-Hydroxyhexanoic acidME74074199824NA--
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME740640-C03264--
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME74069599823NA--
amoxicillinAmoxicillinME74092833613DG00520,C06827,D00229--
androstenediol (3alpha, 17alpha) monosulfate (2)-ME740776-NA--
androstenediol (3alpha, 17alpha) monosulfate (3)-ME740777-NA--
androstenediol (3beta,17beta) disulfate (1)-ME74076587120982C04295--
androstenediol (3beta,17beta) disulfate (2)-ME74076787120982NA--
androstenediol (3beta,17beta) monosulfate (1)-ME740778-NA--
androstenediol (3beta,17beta) monosulfate (2)-ME740779-NA--
andro steroid monosulfate C19H28O6S (1)*-ME740788159663NA--
androsterone glucuronideAndrosterone 3-glucuronideME740807114833C11135--
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME740664159663NA--
anserineAnserineME740629112072C01262--
arachidate (20:0)Arachidic acidME74058610467C06425--
arachidonate (20:4n6)Arachidonic acidME740561444899C00219--
atazanavirAtazanavirME741063148192DG00657,D07471--
atorvastatinAtorvastatinME74080960822D07474,D02258,D00887--
azelate (C9-DC)Azelaic acidME7406182266C08261--
behenate (22:0)*Behenic acidME7405658215C08281--
benazeprilatBenazeprilatME7410375463984D03077--
benzoateBenzoic acidME740622243C00180--
beta-citrylglutamateBeta-Citryl-glutamic acidME740824189741C20775--
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME74061169362NA--
bilirubin degradation product, C16H18N2O5 (1)**-ME741096-NA--
bilirubin degradation product, C16H18N2O5 (2)**-ME741097-NA--
bilirubin degradation product, C16H18N2O5 (3)**-ME741104-NA--
bilirubin degradation product, C16H18N2O5 (4)**-ME741105-NA--
bilirubin degradation product, C17H18N2O4 (1)**-ME741098-NA--
bilirubin degradation product, C17H18N2O4 (2)**-ME741099-NA--
bilirubin degradation product, C17H18N2O4 (3)**-ME741100-NA--
bilirubin degradation product, C17H20N2O5 (1)**-ME741101-NA--
bilirubin degradation product, C17H20N2O5 (2)**-ME741102-NA--
branched chain 14:0 dicarboxylic acid**-ME741077-NA--
branched-chain, straight-chain, or cyclopropyl 10:...Decenoic acidME741082-NA--
branched-chain, straight-chain, or cyclopropyl 10:...-ME741083-NA--
branched-chain, straight-chain, or cyclopropyl 12:...-ME741085-NA--
butyrate/isobutyrate (4:0)Butyric acidME740604264C00246--
caprate (10:0)Capric acidME7405832969C01571--
caproate (6:0)Caproic acidME7405878892C01585--
caprylate (8:0)Caprylic acidME740588379C06423--
carbamazepine glucuronide*-ME74079483870NA--
carboxyibuprofenCarboxyibuprofenME74083910444113NA--
catechol glucuronide-ME74093675124209NA--
catechol sulfateCatechol sulfateME7407293083879NA--
cefpodoxime-ME7409576335986C08114,DG00582,D07650--
celecoxibCelecoxibME7408102662D00567,C07589--
C-glycosyltryptophanC-GlycosyltryptophanME74091510981970NA--
chlorothiazideChlorothiazideME741089-NA--
chlorthalidoneChlorthalidoneME7408912732D00272--
cholateCholic acidME740555221493C00695--
cholic acid glucuronideCholic acid glucuronideME74103121252309NA--
cinnamoylglycineCinnamoylglycineME740793709625NA--
ciprofloxacinCiprofloxacinME7406392764C05349--
cis-3,4-methyleneheptanoate-ME741087-NA--
cis-3,4-methyleneheptanoylglycine-ME741095-NA--
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME7408085282726NA--
citalopram propionate*-ME74103810403174C16610--
citrateCitric acidME740599311C00158--
cortisolCortisolME7405685754C00735--
cortisoneCortisoneME740564222786C00762--
cortolone glucuronide (1)-ME740959-NA--
daidzein sulfate (2)-ME74090812114465NA--
dehydroepiandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME74064912594C04555--
delta-CEHC-ME74101435027084NA--
delta-CEHC glucuronide-ME741016-NA--
deoxycholic acid 12-sulfate*-ME741086-NA--
deoxycholic acid glucuronide-ME741032-NA--
desmethylnaproxenO-DesmethylnaproxenME740753162920NA--
desmethylnaproxen sulfate-ME740754184679NA--
dexamethasoneDexamethasoneME7408325743D00292,C15643--
dexlansoprazoleDexlansoprazoleME7409549578005D08903--
dibutyl sulfosuccinate-ME741080423891NA--
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME7406066439848C16525--
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME7407455280581C03242--
dihydroferulic acid sulfateDihydroferulic acid 4-sulfateME741005187489NA--
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME7406775282807C16533--
docosadioate (C22-DC)Docosanedioic acidME7408187641C14240--
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME740638445580C06429--
docosapentaenoate (n3 DPA; 22:5n3)DPAME7406766441454C16513--
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME7407266441454C16513--
dodecadienoate (12:2)*Dodecadienoic acidME74101525480NA--
dodecanedioate (C12-DC)Dodecanedioic acidME74066712736C02678--
dodecenedioate (C12:1-DC)*Traumatic acidME7409695283028NA--
dopamine 3-O-sulfateDopamine 3-O-sulfateME740907122136C13690--
dopamine 4-sulfateDopamine 4-sulfateME74090668517194C13691--
EDTAEdetic acidME7406596049C00284--
eicosanedioate (C20-DC)Eicosanedioic acidME74081775502NA--
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME740621446284C06428--
eicosenedioate (C20:1-DC)*-ME741071-NA--
eicosenoate (20:1)cis-Gondoic acidME740701-C16526--
emtricitabineEmtricitabineME74106060877C12599,D01199--
enterolactone sulfate-ME741011-NA--
epiandrosterone sulfateEpiandrosteroneME7406949929317C04555--
equol sulfate-ME740826-NA--
erucate (22:1n9)cis-Erucic acidME740595-C08316--
ethyl alpha-glucopyranoside-ME74095811127487NA--
ethyl beta-glucopyranoside-ME741009121667NA--
ethyl glucuronideEthyl glucuronideME74081318392195NA--
ethyl maltol sulfate-ME740898-NA--
ethylparaben sulfate-ME74090422908099NA--
etiocholanolone glucuronideAndrosterone 3-glucuronideME740865270605NA--
etravirine-ME741062193962D04112--
eugenol sulfateEugenol sulfateME740889180632NA--
ezetimibe glucuronide*-ME7410419894653NA--
ferulic acid 4-sulfateFerulic acid 4-sulfateME7408616305574NA--
feruloylquinate (4)-ME741078-NA--
ferulylglycine (1)-ME740948-NA--
ferulylglycine (2)-ME740949-NA--
fibrinopeptide A*-ME74069725081464NA--
fibrinopeptide A, des-ala(1)*-ME740698132993922NA--
fibrinopeptide A, phosphono-ser(3)*-ME740699132993923NA--
fibrinopeptide B (1-13)**-ME741059-NA--
fucitolFucitolME740800445724NA--
furaneol sulfate-ME74093859815364NA--
furosemideFurosemideME7408463440D00331--
gabapentinGabapentinME7408113446D00332--
gamma-CEHCgamma-CEHCME740782133098NA--
gamma-CEHC glucuronide*-ME740847121596235NA--
gamma-glutamyltyrosinegamma-GlutamyltyrosineME74059794340NA--
genistein sulfate*-ME740991-NA--
gliclazide-ME741094-NA--
glimepirideGlimepirideME7410573476C07669--
glipizideGlipizideME7410563478D00335--
glucuronide of C10H14O2 (4)*-ME740987-NA--
glucuronide of C10H14O2 (7)*-ME740988-NA--
glucuronide of C10H18O2 (1)*-ME740977-NA--
glucuronide of C10H18O2 (2)*-ME740978-NA--
glucuronide of C10H18O2 (3)*-ME740979-NA--
glucuronide of C10H18O2 (6)*-ME740984-NA--
glucuronide of C10H18O2 (7)*-ME740985-NA--
glucuronide of C10H18O2 (8)*-ME740986-NA--
glucuronide of C12H22O4 (1)*-ME740973-NA--
glucuronide of C12H22O4 (2)*-ME740974-NA--
glucuronide of C14H22O4 (2)*-ME740989-NA--
glucuronide of C14H26O4 (1)*-ME740975-NA--
glucuronide of C14H26O4 (2)*-ME740983-NA--
glucuronide of C19H28O4 (1)*-ME740976-NA--
glucuronide of piperine metabolite C17H21NO3 (3)*-ME741017-NA--
glucuronide of piperine metabolite C17H21NO3 (4)*-ME741018-NA--
glucuronide of piperine metabolite C17H21NO3 (5)*-ME741019-NA--
glutamine conjugate of C6H10O2 (2)*-ME741004-NA--
glutamine conjugate of C7H12O2*-ME741003-NA--
glyburideGlyburideME7410553488D00336,C07022--
glycerolGlycerolME740608753C00116--
glycine conjugate of C10H12O2*-ME741001-NA--
glycine conjugate of C10H14O2 (1)*-ME741002-NA--
glyco-beta-muricholate**Glyco-beta-muricholic acidME740992-NA--
glycochenodeoxycholateGlycochenodeoxycholic acidME74061312544C05466--
glycochenodeoxycholate 3-sulfateGlycochenodeoxycholic acid 3-sulfateME740918-NA--
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME74093544263370NA--
glycocholateGlycocholic acidME74056610140C01921--
glycocholenate sulfate*Glycocholenate sulfateME740763-NA--
glycodeoxycholate 3-sulfateGlycodeoxycholic acid 3-sulfateME740919101602538NA--
glycohyocholateGlycohyocholic acidME74083371361462NA--
glycolithocholateGlycolithocholic acidME740663115245C15557--
glycolithocholate sulfate*Sulfoglycolithocholic acidME74073872222C11301--
glycoursodeoxycholateGlycoursodeoxycholic acidME74081412310288NA--
glycoursodeoxycholate glucuronide (2)-ME741043-NA--
glycoursodeoxycholic acid sulfate (1)-ME741044-NA--
guaiacol sulfateGuaiacol sulfateME74084322473NA--
guaifenesinGuaifenesinME7408483516D00337--
heneicosapentaenoate (21:5n3)Heneicosapentaenoic acidME74095511998573NA--
hexadecadienoate (16:2n6)Hexadecadienoic acidME74094013932172NA--
hexadecanedioate (C16-DC)Hexadecanedioic acidME74073310459C19615--
hexadecenedioate (C16:1-DC)*-ME740970-NA--
hexanoylglutamineHexanoylglutamineME740743-NA--
hexanoylglycineHexanoylglycineME74071999463NA--
hippurateHippuric acidME740625464C01586--
histidineHistidineME7405676274C00135--
hydrochlorothiazideHydrochlorothiazideME7408053639C07041--
hydroquinone sulfateQuinol sulfateME740728161220C00530--
hydroxy-CMPF*-ME740966-NA--
hydroxypioglitazone (M-IV)-ME7408414147757NA--
hyocholate (gamma-muricholate)-ME74069392805C17649--
ibuprofenIbuprofenME7406123672C01588--
ibuprofen acyl glucuronide-ME740798163959NA--
indapamideIndapamideME741090-NA--
indoleacetateIndoleacetic acidME740660802C00954--
indoleacetylglutamineIndoleacetyl glutamineME74074225200879NA--
indolelactateIndolelactic acidME74063392904C02043--
indolepropionate3-Indolepropionic acidME7406653744NA--
indolepropionylglycineIndolepropionylglycineME740943129691959NA--
indoxyl glucuronideInodxyl glucuronideME7409262733785NA--
inosineInosineME7405696021C00294--
isobutyrylglycineIsobutyrylglycineME74072710855600NA--
isoeugenol sulfate-ME740879122198202NA--
isoleucylglycineIle-GlyME740822342532NA--
isoursodeoxycholateIsoursodeoxycholic acidME740801127601C17662--
isoursodeoxycholate sulfate (1)-ME741081-NA--
isovalerate (i5:0)Isovaleric acidME74064110430C08262--
isovalerylglycineIsovalerylglycineME740715546304NA--
I-urobilinogenMesobilirubinogenME7406829548718C05789--
kynurenateKynurenic acidME7405543845C01717--
lactateLactic acidME740577612C00186--
laurate (12:0)Lauric acidME7405593893C02679--
leukotriene B4LTB4ME7405715280492C02165--
levetiracetamLevetiracetamME7409565284583C07841--
levulinate (4-oxovalerate)Levulinic acidME74064411579NA--
linoleate (18:2n6)Linoleic acidME7405585280450C01595--
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME740702-C06426,C06427--
linoleoyl ethanolamideLinoleoyl-EAME7409235283446NA--
lisinoprilLisinoprilME7409395362119DG00336,D00362--
lithocholate sulfate (1)Lithocholic acid sulfateME741045451489NA--
malateMalic acidME740572525C00149,C00711,C00497--
maltol sulfate-ME740884-NA--
margarate (17:0)Margaric acidME74058410465NA--
metabolonic lactone sulfate-ME741075-NA--
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME74088510657183NA--
methyl glucopyranoside (alpha + beta)Methyl glucoseME740871-NA--
methylnaphthyl sulfate (1)*-ME740981-NA--
methylnaphthyl sulfate (2)*-ME740982-NA--
methyl vanillate sulfate-ME741035-NA--
m-tyramine sulfate-ME740882-NA--
mycophenolic acidMycophenolic acidME740933446541C20380--
mycophenolic acid glucuronide-ME7409346442661NA--
myristate (14:0)Myristic acidME74057811005C06424--
myristoleate (14:1n5)Myristoleic acidME7406805281119C08322--
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME74071769698C05842--
N-(2-furoyl)glycine2-FuroylglycineME74066621863NA--
N2,N5-diacetylornithineN2,N5-DiacetylornithineME74085765977NA--
N4-acetyl-5-hydroxysulfamethoxazole*-ME740994-NA--
N4-acetylcytidineN4-AcetylcytidineME740708107461NA--
N4-acetylsulfamethoxazole*N-AcetylsulfamethoxazoleME74099365280D01601,C13061--
N6-acetyllysineN6-AcetyllysineME74074492832C02727--
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME740709161466NA--
N-acetyl-2-aminooctanoate*N-Acetyl-2-aminooctanoic acidME74099095555NA--
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME740791193270NA--
N-acetylalliinN-AcetylalliinME740859-NA--
N-acetylaspartate (NAA)N-Acetylaspartic acidME74064865065C01042--
N-acetyl-beta-alanineN-Acetyl-beta-alanineME74078376406C01073--
N-acetylcitrullineN-AcetylcitrullineME740724656979C15532,C02851--
N-acetylglutamineN-AcetylglutamineME740686182230C02716--
N-acetylkynurenine (2)N-AcetylkynurenineME74091473817779NA--
N-acetylleucineN-AcetylleucineME74059270912C02710--
N-acetylmethionineN-AcetylmethionineME740593448580C02712--
N-acetylphenylalanineN-AcetylphenylalanineME74068874839C03519--
N-acetyltaurineN-AcetyltaurineME740867159864NA--
N-acetylthreonineN-AcetylthreonineME740689152204NA--
N-acetyltryptophanN-Acetyl-tryptophanME740687-C03137--
N-acetyltyrosineN-AcetyltyrosineME74066868310NA--
N-acetylvalineN-AcetylvalineME74059466789NA--
naproxenNaproxenME740610156391C01517--
naringenin 7-glucuronide-ME740946-NA--
N-delta-acetylornithineN(5)-Acetyl-ornithineME7408559920500C00437--
N-formylmethionineN-FormylmethionineME740560439750C03145--
N-formylphenylalanineN-FormylphenylalanineME740877-NA--
N-lactoyl isoleucineN-Lactoyl isoleucineME741106-NA--
N-lactoyl leucineN-Lactoyl leucineME741107-NA--
N-lactoyl phenylalanineN-Lactoyl phenylalanineME741108-NA--
N-lactoyl tyrosineN-Lactoyl tyrosineME741109-NA--
N-lactoyl valineN-Lactoyl valineME741110-NA--
N-oleoylserineNASer 18:1(9Z)ME74095344190514NA--
N-oleoyltaurineN-Oleoyl taurineME7408216437033NA--
nonadecanoate (19:0)Nonadecenoic acidME74058512591C16535--
N-palmitoylglycineN-Palmitoyl glycineME740829151008NA--
N-palmitoylserineN-Palmitoyl serineME7409526453686NA--
N-stearoyltaurineN-Stearoyl taurineME740823168274NA--
o-cresol sulfateo-Cresol sulfateME74075811615528NA--
octadecadienedioate (C18:2-DC)*Octadecanedioic acidME740972-NA--
octadecanedioate (C18-DC)Octadecanedioic acidME74073470095NA--
octadecenedioate (C18:1-DC)-ME7409719543674NA--
o-hydroxyatorvastatin-ME7408729808225NA--
oleate/vaccenate (18:1)Oleic acidME740925-C21944,C08367,C01712,C00712--
olmesartanOlmesartanME740897158781D05246--
omeprazoleOmeprazoleME7408044594C07324--
O-sulfo-tyrosineSulfotyrosineME740860514186NA--
oxalate (ethanedioate)Oxalic acidME740651971C00209--
palmitate (16:0)Palmitic acidME740573985C00249--
palmitoleate (16:1n7)Palmitoleic acidME740575445638C08362--
pantoate(R)-Pantoic acidME7408035289105C00522--
pantoprazolePantoprazoleME7408124679C11806--
pantothenatePantothenic acidME7405916613C00864--
paraxanthineParaxanthineME7406324687C13747--
p-cresol glucuronide*P-Cresol glucuronideME740894154035NA--
p-cresol sulfatep-Cresol sulfateME7406964615423NA--
pentadecanoate (15:0)Pentadecylic acidME74058913849C16537--
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME74095074483C18142--
phenol glucuronidePhenyl glucuronideME74092287235NA--
phenol sulfatePhenyl hydrogen sulfateME74071874426C02180--
phenylacetatePhenyl acetateME740624999C07086--
phenylacetylglutamateN-Phenylacetylglutamic acidME74093011579826NA--
phenylacetylglycinePhenylacetylglycineME74069068144C05598--
phenylacetylmethioninePhenylacetylmethionineME740932-NA--
phenylacetylthreonine-ME740947-NA--
phenyllactate (PLA)Phenyllactic acidME7406463848C05607--
phenylpyruvatePhenylpyruvic acidME740563997C00166--
phytanatePhytanic acidME74057626840C01607--
picolinoylglycinePicolinoylglycineME74107211788622NA--
pregnanediol-3-glucuronidePregnanediol-3-glucuronideME740827123796NA--
pregnanolone/allopregnanolone sulfate3alpha-Hydroxy-5beta-pregnane-20-oneME740890-C05480--
pregnenediol disulfate (C21H34O8S2)*-ME740766-NA--
pregnenediol sulfate (C21H34O5S)*Pregnenolone sulfateME740781105074C18044--
pregnenetriol disulfate*-ME741070-NA--
pregnenetriol sulfate*-ME741069129671303NA--
pregnenolone sulfatePregnenolone sulfateME740787105074C18044--
propyl 4-hydroxybenzoate sulfate-ME740903131838881NA--
pseudouridinePseudouridineME74058215047C02067--
pyridoxate4-Pyridoxic acidME7406726723C00847--
pyrralinePyrralineME74074914274616C21013--
raltegravir-ME74106454671008DG00666,D06676--
resveratrol disulfate (1)*-ME740997-NA--
resveratrol disulfate (2)*-ME740998-NA--
resveratrol glucuronide (1)*-ME740999-NA--
resveratrol glucuronide (2)*-ME741000-NA--
resveratrol sulfate (1)*-ME74099525113755NA--
resveratrol sulfate (2)*-ME74099625113755NA--
rosiglitazoneRosiglitazoneME74091677999D08491--
rosuvastatin-ME740825446157D01915--
saccharinSaccharinME7406525143C12283--
salicyluric glucuronide*Salicyluric glucuronideME740700121596205NA--
sebacate (C10-DC)Sebacic acidME7406815192C08277--
S-methylcysteineMethylcysteineME740806-NA--
stearate (18:0)Stearic acidME7405745281C01530--
stearidonate (18:4n3)Stearidonic acidME7406835312508C16300--
succinimideSuccinimideME74083011439C07273--
sulfamethoxazoleSulfamethoxazoleME7409375329D00447--
sulfate*SulfateME7408025152822C00059--
sulfate of piperine metabolite C16H17NO3 (1)*-ME741022-NA--
sulfate of piperine metabolite C16H19NO3 (2)*-ME741020-NA--
sulfate of piperine metabolite C16H19NO3 (3)*-ME741021-NA--
sulfate of piperine metabolite C18H21NO3 (1)*-ME741023-NA--
sulfate of piperine metabolite C18H21NO3 (3)*-ME741024-NA--
syringol sulfate-ME740899-NA--
tadalafilTadalafilME740929110635NA--
tartarateTartaric acidME740630-C00552,C02107,C00898--
tartronate (hydroxymalonate)Hydroxypropanedioic acidME74065045C02287--
tauro-beta-muricholateTauro-beta-muricholic acidME740685-NA--
taurochenodeoxycholateTaurochenodeoxycholic acidME740614387316C05465--
taurochenodeoxycholic acid 3-sulfateTaurochenodeoxycholic acid 3-sulfateME74106752931550NA--
taurocholateTaurocholic acidME740615-C05122--
taurocholenate sulfate*Taurocholenate sulfateME740764-NA--
taurodeoxycholateTaurodeoxycholic acidME7406162733768C05463--
taurodeoxycholic acid 3-sulfateTaurodeoxycholic acid 3-sulfateME740920-NA--
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME740739440071C03642--
tauroursodeoxycholateTauroursodeoxycholic acidME7408159848818NA--
tauroursodeoxycholic acid sulfate (1)-ME741049-NA--
tauroursodeoxycholic acid sulfate (2)-ME741050-NA--
tenofovir-ME741061464205C17407--
testosterone sulfateTestosterone sulfateME740721119207NA--
tetradecadienedioate (C14:2-DC)*-ME74106886018718NA--
tetradecadienoate (14:2)*Tetradecadienoic acidME7410075312409NA--
tetradecanedioate (C14-DC)Tetradecanedioic acidME74073213185NA--
tetrahydrocortisol glucuronide-ME741103-NA--
THC carboxylic acid-ME740963107885NA--
THC carboxylic acid glucuronide-ME740964-NA--
theophyllineTheophyllineME7406312153C07130--
thymol sulfate-ME74074812456386C09908--
thyroxineThyroxineME7405965819C01829--
trans-2-hexenoylglycine-ME740967-NA--
trans-3,4-methyleneheptanoate-ME740921-NA--
triclosan sulfate-ME74103467606152NA--
tridecenedioate (C13:1-DC)*-ME740790-NA--
tyramine O-sulfateTyramine-O-sulfateME740880153005NA--
umbelliferone sulfateUmbelliferone sulfateME740905129659NA--
urateUric acidME7406001175C00366--
uridineUridineME7405796029C00299--
ursodeoxycholateUrsodeoxycholic acidME74060131401C07880--
valerate (5:0)Valeric acidME7406027991C00803--
valineValineME7405816287C00183--
valproateValproic acidME7406473121C07185--
valproic acid glucuronideValproic acid glucuronideME74100688111NA--
valsartanValsartanME74089660846NA--
valylglycineVal-GlyME740828136487NA--
vanillactateVanillactic acidME740888160637NA--
vanillic alcohol sulfate-ME740886-NA--
vanilloylglycineVanilloylglycineME7410763083688NA--
vanillylmandelate (VMA)Vanillylmandelic acidME7405981245C05584--
warfarinWarfarinME74084054678486DG00149,D08682,C01541--
X-07765-ME741111-NA--
X-10458-ME741112-NA--
X-11299-ME741113-NA--
X-11308-ME741114-NA--
X-11315-ME741115-NA--
X-11372-ME741116-NA--
X-11378-ME741117-NA--
X-11381-ME741118-NA--
X-11444-ME741119-NA--
X-11470-ME741120-NA--
X-11478-ME741121-NA--
X-11483-ME741122-NA--
X-11632-ME741123-NA--
X-11787-ME741124-NA--
X-11843-ME741125-NA--
X-11847-ME741126-NA--
X-11849-ME741127-NA--
X-11850-ME741128-NA--
X-11852-ME741129-NA--
X-11858-ME741130-NA--
X-11880-ME741131-NA--
X-12007-ME741132-NA--
X-12013-ME741133-NA--
X-12015-ME741134-NA--
X-12026-ME741135-NA--
X-12104-ME741136-NA--
X-12111-ME741137-NA--
X-12193-ME741138-NA--
X-12216-ME741139-NA--
X-12221-ME741140-NA--
X-12261-ME741141-NA--
X-12306-ME741142-NA--
X-12407-ME741143-NA--
X-12410-ME741144-NA--
X-12411-ME741145-NA--
X-12456-ME741146-NA--
X-12543-ME741147-NA--
X-12544-ME741148-NA--
X-12701-ME741149-NA--
X-12707-ME741150-NA--
X-12714-ME741151-NA--
X-12718-ME741152-NA--
X-12726-ME741153-NA--
X-12729-ME741154-NA--
X-12730-ME741155-NA--
X-12731-ME741156-NA--
X-12738-ME741157-NA--
X-12740-ME741158-NA--
X-12812-ME741159-NA--
X-12816-ME741160-NA--
X-12818-ME741161-NA--
X-12822-ME741162-NA--
X-12823-ME741163-NA--
X-12830-ME741164-NA--
X-12834-ME741165-NA--
X-12844-ME741166-NA--
X-12847-ME741167-NA--
X-12849: ret for 64873-ME741168-NA--
X-12851-ME741169-NA--
X-12906-ME741170-NA--
X-13007-ME741171-NA--
X-13553-ME741172-NA--
X-13658-ME741173-NA--
X-13695-ME741174-NA--
X-13726-ME741175-NA--
X-13728-ME741176-NA--
X-13729-ME741177-NA--
X-13835-ME741178-NA--
X-13844-ME741179-NA--
X-13846-ME741180-NA--
X-13866-ME741181-NA--
X-13879-ME741182-NA--
X-14904-ME741183-NA--
X-14939-ME741184-NA--
X-15220-ME741185-NA--
X-15486-ME741186-NA--
X-15503-ME741187-NA--
X-15523-ME741188-NA--
X-15728-ME741189-NA--
X-16087-ME741190-NA--
X-16124-ME741191-NA--
X-16576-ME741192-NA--
X-16649-ME741193-NA--
X-16935-ME741194-NA--
X-16964-ME741195-NA--
X-17010-ME741196-NA--
X-17137-ME741197-NA--
X-17146-ME741198-NA--
X-17185: ret for 64579-ME741199-NA--
X-17325-ME741200-NA--
X-17340: ret for 64591-ME741201-NA--
X-17343-ME741202-NA--
X-17348-ME741203-NA--
X-17351-ME741204-NA--
X-17353-ME741205-NA--
X-17354-ME741206-NA--
X-17355-ME741207-NA--
X-17357-ME741208-NA--
X-17361-ME741209-NA--
X-17365-ME741210-NA--
X-17367-ME741211-NA--
X-17612-ME741212-NA--
X-17653-ME741213-NA--
X-17654-ME741214-NA--
X-17655-ME741215-NA--
X-17673-ME741216-NA--
X-17674-ME741217-NA--
X-17676-ME741218-NA--
X-17685-ME741219-NA--
X-17686-ME741220-NA--
X-17688-ME741221-NA--
X-17690-ME741222-NA--
X-18240-ME741223-NA--
X-18345-ME741224-NA--
X-18838-ME741225-NA--
X-18886-ME741226-NA--
X-18887-ME741227-NA--
X-18888-ME741228-NA--
X-18899-ME741229-NA--
X-18901-ME741230-NA--
X-18913-ME741231-NA--
X-18921-ME741232-NA--
X-18922-ME741233-NA--
X-19141-ME741234-NA--
X-19183-ME741235-NA--
X-19299-ME741236-NA--
X-19438-ME741237-NA--
X-19497-ME741238-NA--
X-21258-ME741239-NA--
X-21286-ME741240-NA--
X-21310-ME741241-NA--
X-21312-ME741242-NA--
X-21315-ME741243-NA--
X-21319-ME741244-NA--
X-21339-ME741245-NA--
X-21351-ME741246-NA--
X-21353-ME741247-NA--
X-21364-ME741248-NA--
X-21383-ME741249-NA--
X-21441-ME741250-NA--
X-21442-ME741251-NA--
X-21467-ME741252-NA--
X-21470-ME741253-NA--
X-21471-ME741254-NA--
X-21607-ME741255-NA--
X-21661-ME741256-NA--
X-21733-ME741257-NA--
X-21736-ME741258-NA--
X-21740-ME741259-NA--
X-21752-ME741260-NA--
X-21796-ME741261-NA--
X-21803-ME741262-NA--
X-21807-ME741263-NA--
X-21815-ME741264-NA--
X-21821-ME741265-NA--
X-21831-ME741266-NA--
X-21834-ME741267-NA--
X-21838-ME741268-NA--
X-21840-ME741269-NA--
X-21842-ME741270-NA--
X-21845-ME741271-NA--
X-22143-ME741272-NA--
X-22509-ME741273-NA--
X-22520-ME741274-NA--
X-22771-ME741275-NA--
X-22776-ME741276-NA--
X-22834-ME741277-NA--
X-23429-ME741278-NA--
X-23787-ME741279-NA--
X-23968-ME741280-NA--
X-23974-ME741281-NA--
X-24295-ME741282-NA--
X-24306-ME741283-NA--
X-24307-ME741284-NA--
X-24309-ME741285-NA--
X-24328-ME741286-NA--
X-24330-ME741287-NA--
X-24337-ME741288-NA--
X-24338-ME741289-NA--
X-24339-ME741290-NA--
X-24344-ME741291-NA--
X-24435: ret for 35324-ME741292-NA--
X-24489-ME741293-NA--
X-24494-ME741294-NA--
X-24541-ME741295-NA--
X-24543-ME741296-NA--
X-24544-ME741297-NA--
X-24546-ME741298-NA--
X-24549-ME741299-NA--
X-24556-ME741300-NA--
X-24565-ME741301-NA--
X-24571-ME741302-NA--
X-24576-ME741303-NA--
X-24577-ME741304-NA--
X-24581-ME741305-NA--
X-24588-ME741306-NA--
X-24590-ME741307-NA--
X-24637-ME741308-NA--
X-24747-ME741309-NA--
X-24748-ME741310-NA--
X-24757-ME741311-NA--
X-24761-ME741312-NA--
X-24947-ME741313-NA--
X-24949-ME741314-NA--
X-24951-ME741315-NA--
X-24953-ME741316-NA--
X-24975-ME741317-NA--
X-25247-ME741318-NA--
X-25279-ME741319-NA--
X-25317-ME741320-NA--
X-25371-ME741321-NA--
X-25383-ME741322-NA--
X-25388-ME741323-NA--
X-25396-ME741324-NA--
X-25406-ME741325-NA--
X-25433-ME741326-NA--
X-25450-ME741327-NA--
X-25457-ME741328-NA--
X-25503-ME741329-NA--
X-25511-ME741330-NA--
X-25523-ME741331-NA--
X-25800-ME741332-NA--
X-25805-ME741333-NA--
X-25806-ME741334-NA--
X-26054-ME741335-NA--
X-26062-ME741336-NA--
X-26109-ME741337-NA--
X-26111-ME741338-NA--
X-26119-ME741339-NA--


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-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*PE 18:1/22:6ME74142752922113NA--
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME74137046891795NA--
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME741405677C04039--
2-hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME74144611427NA--
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME741426-C21297,C05984--
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME74134311970C05852--
2-isopropylmalate2-Isopropylmalic acidME74137777C02504--
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME741419161227C00204--
2-O-methylascorbic acid2-O-Methylascorbic acidME74141254726398NA--
2R,3R-dihydroxybutyrate4-Deoxyerythronic acidME74140313120901NA--
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME74140210964471NA--
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME741397150929NA--
3,4-dihydroxyphenylacetate sulfate3,4-Dihydroxyphenylacetate sulfateME741422193283NA--
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME741342-C03761--
3-hydroxyadipate3-Hydroxy-adipic acidME741417151913NA--
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME741345-C03197,C01089--
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME741423151492NA--
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME74134111966314C01188,C06001--
3-methyladipate3-Methyladipic acidME74139912292NA--
3-methylglutaconate3E-Methylglutaconic acidME7414061551553NA--
3-methylglutarate/2-methylglutarateMethylglutaric acidME741431-NA--
3-ureidoisobutyrateUreidoisobutyric acidME741394160663C05100--
4-hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME741409599C01127--
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME74139288299C16366--
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME741391108214C16365--
5-hydroxymethyl-2-furoic acidSumiki's acidME74141480642C20448--
allantoinAllantoinME741366-C02348,C01551,C02350--
alpha-ketobutyrate3-Methyl pyruvic acidME74135658C00109--
alpha-ketoglutaramate*2-Keto-glutaramic acidME74140448C00940--
alpha-ketoglutarate2-Oxoglutaric acidME74134051C00026--
arabinoseArabinoseME74136166308C00216--
arabitol/xylitolArabitolME741424-C00379,C00542,C01904--
arabonate/xylonateArabinonic acid/Xylonic acidME741420-C00502,C05411--
ascorbic acid 2-sulfate-ME74142954676864NA--
ascorbic acid 3-sulfate*-ME74143811425365NA--
caffeic acid sulfate-ME74143021668705NA--
carboxyibuprofen glucuronide*-ME741437135390721NA--
chiro-inositol1D-chiro-InositolME741401-C19891--
citraconate/glutaconateCitraconic acid/Glutaconic acidME741425-C02226,C02214--
decadienedioic acid (C10:2-DC)**-ME74144817789717NA--
dihydrocaffeate sulfate (2)-ME741441-NA--
dihydroorotate4,5-Dihydroorotic acidME741364648C00337--
efavirenzEfavirenzME74144264139C08088,D00896--
erythritolErythritolME741381222285C00503--
erythronate*Erythronic acidME7413902781043NA--
ethylmalonateEthylmalonic acidME74137211756NA--
febuxostat-ME741449134018DG02878,D01206--
fluconazoleFluconazoleME7414333365C07002--
fructoseFructoseME7413622723872C00095--
fumarateFumaric acidME741346444972C00122--
galactonateGalactonic acidME741386-C00880,C15930--
galactosylglycerolGalactosylglycerolME74141116048618C05401--
gentisateGentisic acidME7413793469C00628--
ginkgolic acid C15:1-ME7414455281858C10794--
glucoheptose-ME74138276599NA--
gluconateGluconic acidME741347-C00257--
glucoseGlucoseME7413555793C00031--
glucuronateGlucuronic acidME741374-C16245--
glutarate (C5-DC)Glutaric acidME741348-C00489--
glycerateGlyceric acidME741368-C00258--
gulonate*Gulonic acidME741395152304C00800--
heptenedioate (C7:1-DC)*-ME741435-NA--
homocitrullineHomocitrullineME74138365072C02427--
hydantoin-5-propionateHydantoin-5-propionic acidME741408782C05565--
hypotaurineHypotaurineME741349107812C00519--
isocitric lactoneIsocitric acid lactoneME74142898259NA--
lactoseLactoseME7413516134C01970--
lyxonateD-Lyxonic acidME741434-NA--
maleateMaleic acidME741380444266C01384--
maltoseMaltoseME74136310991489C00208--
mannitol/sorbitolSorbitolME741398-C00392,C00794--
mannonate*Mannonic acidME7414133246006NA--
mannoseMannoseME741357-C00159,C02209,C00936--
methylmalonate (MMA)Methylmalonic acidME741352487C02170--
methylsuccinateMethylsuccinic acidME74137110349NA--
myo-inositolMyo-inositolME741350892C00137--
N2-acetyllysineN(2)-AcetyllysineME74139692907C12989--
N-acetyl-2-aminoadipate-ME741450443992C12986--
N-acetylalanineN-AcetylalanineME74136988064C02847--
N-acetylasparagineN-AcetylasparagineME74138999715NA--
N-acetylcarnosineN-AcetylcarnosineME7414159903482NA--
N-acetylglutamateN-Acetylglutamic acidME74137570914C00624--
N-acetylserineN-AcetylserineME74140065249NA--
N-formylanthranilic acidFormylanthranilic acidME741418101399C05653--
N-methyltaurineN-MethyltaurineME7414167882NA--
N-oxalyl glycine (NOG)-ME7414323080614NA--
O-acetylhomoserineO-Acetyl-homoserineME741387439389C01077--
orotateOrotic acidME741353967C00295--
orotidineOrotidineME74139392751NA--
oxypurinolOxypurinolME741407135398752D02365--
pentose acid*Valeric acidME7414477991C00803--
perfluorooctanoate (PFOA)Perfluorooctanoic acidME7414369554NA--
propionylglycinePropionylglycineME74138898681NA--
pyruvatePyruvic acidME7413581060C00022--
quinateQuinic acidME7413786508C00296--
ribitolRibitolME7413766912C00379,C01904,C00474,C00532--
ribonateRibonic acidME7413845460677C01685--
ribulose/xylulose-ME741421-NA--
rilpivirine-ME7414436451164D09720--
salicylateSalicylic acidME741354338C00805--
sedoheptuloseGlucoheptuloseME7414105459879C02076--
suberate (C8-DC)Suberic acidME74137310457C08278--
succinateSuccinic acidME7413441110C00042--
succinoyltaurine-ME741444-NA--
sucroseSucroseME7413655988C00089--
sulfociprofloxacin*-ME741440128781NA--
threonateThreonic acidME741385-C01620--
uracilUracilME7413591174C00106--
vanillate glucuronide-ME741439-NA--
xanthineXanthineME7413671188C00385--
xyloseXyloseME741360135191C00181--


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