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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
acetylcarnitine (C2)CAR 2:0ME4043591C025712282-
cysteine sulfinic acid3-Sulfino-alanineME404391109C00606597-
3-ureidopropionateUreidopropionic acidME404350111C02642875-
gamma-aminobutyrate (GABA)gamma-Aminobutyric acidME404404119C003342048-
deoxycarnitine3-DehydroxycarnitineME404399134C011812052-
5-aminovalerate5-Aminopentanoic acidME404354138C004312220-
adenineAdenineME404361190C001472221-
arginineArginineME404369232C000622825-
betaineBetaineME404377247C007191064-
betaine aldehydeBetaine aldehydeME404378249C005761915-
cholineCholineME404384305C001141961-
4-guanidinobutanoate4-Guanidinobutanoic acidME404351500C010352320-
2-oxoarginine2-OxoarginineME404342558C037711760-
creatineCreatineME404387586C003001947-
creatinineCreatinineME404388588C007912055-
cytosineCytosineME404398597C003802060-
glutamateGlutamic acidME404416611C000251500-
dimethylglycineDimethylglycineME404401673C010261104-
glycineGlycineME404429750C000371375-
glycerol 3-phosphatesn-Glycero-3-phosphateME404423754C00093580-
guanidinoacetateGuanidoacetic acidME404433763C005811937-
guanineGuanineME404434764C002422032-
argininosuccinateArgininosuccinic acidME404370828C034062745-
pipecolatePipecolic acidME404495849C004082200-
nicotinamideNiacinamideME404488936C001531942-
choline phosphateCholine phosphateME4043851014C00588700-
putrescinePutrescineME4045031045C001343027-
pyridoxalPyridoxalME4045041050C002502343-
pyridoxaminePyridoxamineME4045051052C005342975-
pyridoxamine phosphatePyridoxamine 5'-phosphateME4045061053C006471932-
spermidineSpermidineME4045171102C003153355-
succinateSuccinic acidME4045191110C000421150-
taurineTaurineME4045211123C00245660-
thiamin (Vitamin B1)ThiamineME4045231130C003783050-
trimethylamine N-oxideTrimethylamine N-oxideME4045301145C011042100-
ureaUreaME4045331176C00086700-
xanthineXanthineME4045361188C003851032-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME4045081196C043221528-
3-methoxytyrosine3-MethoxytyrosineME4043471670-2555-
N6-methyladenosineN6-MethyladenosineME4044871869-2264-
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME4043812572-2085-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME4044615255C122701035-
trigonelline (N'-methylnicotinate)TrigonellineME4045295570C010041388-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME4045285810C011571064-
cysteineCysteineME4043905862C000971488-
alanineAlanineME4043655950C000411700-
serineSerineME4045145951C000651239-
aspartateAspartic acidME4043745960C000491165-
glutamineGlutamineME4044185961C000641291-
lysineLysineME4044545962C000472850-
uridine 5'-monophosphate (UMP)UMPME4045346030C00105590-
tyrosineTyrosineME4045326057C000822430-
adenosine 5'-monophosphate (AMP)AMPME4043636083C000201013-
3-hydroxyindolin-2-one3-Hydroxyindolin-2-oneME4043466097C111302035-
leucineLeucineME4044516106C001232864-
cytidine 5'-monophosphate (5'-CMP)CMPME4043976131C00055835-
methionineMethionineME4044566137C000732526-
phenylalaninePhenylalanineME4044946140C000792878-
cytidineCytidineME4043966175C004752124-
ornithineOrnithineME4044926262C000772800-
asparagineAsparagineME4043716267C001521225-
valineValineME4045356287C001832479-
threonineThreonineME4045266288C001881514-
tryptophanTryptophanME4045316305C000782986-
isoleucineIsoleucineME4044476306C004072800-
pantothenatePantothenic acidME4044936613C008641667-
guanosine 5'- monophosphate (5'-GMP)GMPME4044356804C00144800-
homoarginineHomoarginineME4044399085C019242882-
citrullineCitrullineME4043869750C003271520-
1-methylguanidineMethylguanidineME40433210111C022942149-
carnitineCarnitineME40438210917C003181978-
glycylglycineGly-GlyME40443111163C020371881-
7-methylguanine7-MethylguanineME40435811361C022422175-
2'-deoxycytidineDeoxycytidineME40433613711C008812193-
2'-deoxycytidine 5'-monophosphatedCMPME40433713945C00239975-
pseudouridinePseudouridineME40450215047C02067800-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME40446524139-715-
S-methylcysteineMethylcysteineME40451124417-1955-
N1-methyladenosine1-MethyladenosineME40448127476C024942120-
S-adenosylmethionine (SAM)S-AdenosylmethionineME40450934756C000193002-
adenosineAdenosineME40436260961C002122169-
3-aminoisobutyrate3-Aminoisobutanoic acidME40434364956C051452190-
3-methylhistidine3-MethylhistidineME40434964969C011522670-
homocitrullineHomocitrullineME40444165072C024271908-
N1-methylinosine1-MethylinosineME40448265095-1430-
AICA ribonucleotideAICARME40436465110C04677797-
N-acetylserineN-AcetylserineME40447465249-800-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME40440665254-2784-
glutathione, oxidized (GSSG)Oxidized glutathioneME40442165359C001272667-
N-acetylarginineN-AcetylarginineME40446267427C025622245-
cystineCystineME40439567678C004912000-
taurocyamineTaurocyamineME40452268340C01959710-
glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME40441768662-2170-
imidazole propionateImidazole propanoateME40444570630-2263-
N-methyl-GABA4-(Methylamino)butyric acidME40447670703C159872109-
N-acetylglutamateN-Acetylglutamic acidME40446770914C006241050-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME40442771920C00670672-
N-acetylhistidineN-AcetylhistidineME40446975619C029972065-
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME40433175810C058282064-
alanylglycineAla-GlyME40436679094-1997-
leucylprolineLeu-ProME40445280817-2971-
o-Tyrosineo-TyrosineME40449091482-2772-
1-methylhistidine1-MethylhistidineME40433392105C011522755-
gamma-glutamylglutamategamma-Glutamylglutamic acidME40440792865C052821775-
5-methylcytidine5-MethylcytidineME40435692918-2227-
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME40448392919-2210-
thioprolineThioprolineME40452593176-1250-
2-methylserine2-MethylserineME40434194309C021151652-
4-imidazoleacetateImidazoleacetic acidME40435296215C028352055-
alanylserineAla-SerME40436796821-1885-
glycylalanineGly-AlaME40443098153-2143-
lanthionineLanthionineME40445098504-1730-
N-acetylasparagineN-AcetylasparagineME40446399715-785-
N4-acetylcytidineN4-AcetylcytidineME404484107461-1580-
propionylcarnitine (C3)CAR 3:0ME404501107738C030172590-
hypotaurineHypotaurineME404443107812C00519724-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME404413111299-2992-
stachydrineStachydrineME404518115244C101721440-
N-acetylputrescineN-AcetylputrescineME404473122356C027142230-
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME404486123800-2500-
N-acetylglucosaminylasparagineAspartylglycosamineME404466123826C045401212-
dimethylarginine (SDMA + ADMA)DimethylarginineME404400123831C036262850-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME404424123874C01233659-
glutathione, reduced (GSH)GlutathioneME404422124886C000512000-
N-monomethylarginineTarginineME404478132862C038842845-
pyroglutaminePyroglutamineME404507134508-1900-
serylserineSer-SerME404516138784-1762-
prolineProlineME404496145742C001481603-
gamma-glutamylglutaminegamma-GlutamylglutamineME404408150914C052831430-
2'-O-methylcytidine2'-O-MethylcytidineME404338150971-2411-
gamma-glutamylleucinegamma-GlutamylleucineME404411151023-2991-
methionine sulfoxideMethionine sulfoxideME404457158980C029891272-
3-methylcytidine3-MethylcytidineME404348159649-2176-
argininateArgininic acidME404368160437-2150-
saccharopineSaccharopineME404513160556C004492530-
kynurenineKynurenineME404449161166C003282739-
betonicineBetonicineME404379164642C082691012-
gamma-glutamylglycinegamma-GlutamylglycineME404409165527-1535-
glycerophosphoinositolsn-Glycero-3-phosphoinositolME404426167572-516-
isobutyrylcarnitine (C4)CAR 3:0;2MeME404446168379-2810-
N-acetylglutamineN-AcetylglutamineME404468182230C02716845-
N-acetyl-1-methylhistidineN-Acetyl-3-methylhistidineME404460193270-2100-
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME404471193368-880-
2-aminoheptanoate2-Aminoheptanoic acidME404339227939-3160-
aspartylaspartateAsp-AspME404375332965-1815-
histidylglycineHis-GlyME404438351662-2970-
glycylhistidineGly-HisME404432417360-2934-
prolylalaninePro-AlaME404497418041-2290-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME404357439176C001702752-
N-acetylneuraminateN-Acetylneuraminic acidME404472439197C00270660-
carnosineCarnosineME404383439224C003862942-
formiminoglutamateFormiminoglutamic acidME404403439233C004391880-
cystathionineCystathionineME404389439258C022912270-
cysteinylglycineCys-GlyME404393439498C014192132-
butyrylcarnitine (C4)CAR 4:0ME404380439829C028622860-
nicotinamide ribosideNicotinamide ribosideME404489439924C031502040-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME404425439964C03274520-
S-lactoylglutathioneS-LactoylglutathioneME404510440018C034512124-
5-methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME404355440055C035922303-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME404485440120C037932825-
imidazole lactateImidazolelactic acidME404444440129C055682040-
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME404480440810C058431260-
homostachydrine(S)-HomostachydrineME404442441447C082831750-
N-acetylcitrullineN-AcetylcitrullineME404464656979C155321010-
ergothioneineErgothioneineME4044023032311C05570850-
glycerophosphoserinesn-Glycero-3-phosphoserineME4044283081457-577-
thiamin monophosphateThiamine monophosphateME4045243382778C010812378-
prolylglutamatePro-GluME4044983563697-2190-
S-methylglutathioneS-MethylglutathioneME4045123605667C113472200-
serylglutamateSer-GluME4045153613616-2022-
leucylserineLeu-SerME4044533621685-2643-
cysteine-glutathione disulfideS-Glutathionyl-cysteineME4043924247235-2465-
1-ribosyl-imidazoleacetateImidazoleacetic acid ribosideME4043355117448C051312006-
N-methylalanineN-MethylalanineME4044775288725C027211536-
prolylglycinePro-GlyME4044996426709-2136-
isovalerylcarnitine (C5)CAR 4:0;3MeME4044486426851-3085-
hexanoylcarnitine (C6)CAR 6:0ME4044366426853-3308-
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME4043406426901-3035-
gamma-glutamylmethioninegamma-GlutamylmethionineME4044127009567-2640-
gamma-glutamylvalinegamma-GlutamylvalineME4044157015683-2700-
gamma-glutamylhistidinegamma-GlutamylhistidineME4044107017195-2740-
ophthalmateOphthalmic acidME4044917018721-2085-
histidylglutamateHis-GluME4044379838731-2961-
N-delta-acetylornithineN(5)-Acetyl-ornithineME4044759920500-1877-
1-methylnicotinamide1-Methyl nicotinamideME40433410129985C029181940-
homocarnosineHomocarnosineME40444010243361C008842960-
prolylprolinePro-ProME40450011622593-2475-
malonylcarnitineCAR DC3:0ME40445522833583-2086-
3-hydroxybutyrylcarnitine (1)CAR 4:0;3OHME40434453481617-2400-
succinylcarnitine (C4-DC)CAR DC4:0ME40452071464481-2291-
glutarylcarnitine (C5-DC)CAR DC5:0ME40442071464488-2393-
gamma-glutamylthreoninegamma-GlutamylthreonineME40441476078708-1750-
3-hydroxybutyrylcarnitine (2)CAR 4:0;3OHME404345--2340-
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME404353--2755-
acetylcholineAcetylcholineME404360-C019962220-
asparaginylalanineAsn-AlaME404372--2067-
asparaginylglutamateAsn-GluME404373--1981-
aspartylglycineAsp-GlyME404376--1828-
cysteinylglycine disulfideCysteinylglycine disulfideME404394--2547-
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME404405--2380-
glutaminylglutamateGln-GluME404419--1997-
methionylaspartateMet-AspME404458--2431-
methyl glucopyranoside (alpha + beta)Methyl glucoseME404459--832-
(N(1) + N(8))-acetylspermidineAsparagineME404330--3080-
N-acetylkynurenine (2)N-AcetylkynurenineME404470--2364-
N-trimethyl 5-aminovalerate-ME404479--2186-
threonylisoleucineThr-IleME404527--2996-


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
palmitoylcarnitine (C16)CAR 16:0ME404565461C029901425-
spermineSpermineME4045681103C00750758-
sphinganineSphinganineME4045703126C008361413-
alpha-tocopherolalpha-TocopherolME40454014985C024772522-
hemeHemeME40455526945C000321124-
stearoyl ethanolamideStearoyl-EAME40457327902-1787-
4-cholesten-3-oneCholestenoneME40453791477C005992520-
7-hydroxycholesterol (alpha or beta)7beta-HydroxycholesterolME404538107722-1930-
phytosphingosinePhytosphingosineME404567122121C121441367-
palmitoylcholinePalmitoylcholineME404566151731-1482-
campesterolCampesterolME404546173183C017892873-
beta-sitosterolSitosterolME404545222284C017533054-
desmosterolDesmosterolME404548439577C018022364-
arachidonoyl ethanolamideArachidonoyl-EAME4045415281969C116951535-
sphingosine 1-phosphateSphingosine 1-phosphateME4045725283560C061241375-
sphingosineSphingosineME4045715353955C003191393-
myristoylcarnitine (C14)CAR 14:0ME4045606426854-1350-
stearoylcarnitine (C18)CAR 18:0ME4045746426855-1485-
oleoylcarnitine (C18:1)CAR 18:1ME4045616441392-1423-
sphingadienineSphingadienineME4045696449795-1350-
linoleoylcarnitine (C18:2)CAR 18:2ME4045586450015-1430-
palmitoleoyl ethanolamidePalmitoleoyl-EAME4045639835868-1546-
laurylcarnitine (C12)CAR 12:0ME40455610427569-1235-
cholesterolCholesterolME40454711025495C001872707-
palmitoleoylcarnitine (C16:1)CAR 16:1ME40456471464547-1357-
myristoleoylcarnitine (C14:1)CAR 14:1ME40455990659872-1316-
adrenoylcarnitine (C22:4)CAR 22:4ME404539--1415-
arachidonoylcarnitine (C20:4)CAR 20:4ME404542--1353-
arachidoylcarnitine (C20)CAR 20:0ME404543--1512-
behenoylcarnitine (C22)CAR 22:0ME404544--1561-
dihomo-linolenoylcarnitine (20:3n3 or 6)CAR 20:3ME404549--1392-
dihomo-linoleoylcarnitine (C20:2)CAR 20:2ME404550--1436-
docosahexaenoylcarnitine (C22:6)CAR 22:6ME404551--1349-
eicosanoylsphingosine (d20:1)C20 SphingosineME404552--1443-
eicosenoylcarnitine (C20:1)CAR 20:1ME404553--1484-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME404554--2384-
lignoceroylcarnitine (C24)CAR 24:0ME404557--1603-
oleoylcholineOleoylcholineME404562--1449-


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
tartronate (hydroxymalonate)Hydroxypropanedioic acidME40468445C02287610-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME40460347C006712064.2-
4-methyl-2-oxopentanoateKetoleucineME40460870C002332170-
5-methyltetrahydrofolate (5MeTHF)5-Methyl-THFME404613146C004401820-
adenylosuccinateAdenylsuccinic acidME404623195C03794560-
benzoateBenzoic acidME404625243C001801750-
citrateCitric acidME404632311C00158582-
coenzyme ACoenzyme AME404633317C000101448-
caprylate (8:0)Caprylic acidME404630379C064234362-
hippurateHippuric acidME404647464C015862106.9-
sedoheptulose-7-phosphateSedoheptulose 7-phosphateME404683616C05382599.6-
dihydroxyacetone phosphate (DHAP)Dihydroxyacetone phosphateME404636668C00111603-
flavin mononucleotide (FMN)FMNME404640710C000612390-
3-phosphoglycerate3-Phosphoglyceric acidME404604724C00597583-
glycerolGlycerolME404643753C00116758-
hypoxanthineHypoxanthineME404649790C002621291.2-
dehydroascorbateL-Dehydroascorbic acidME404635835C05422739.6-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME404607979C011791690-
phosphopantetheinePantetheine 4'-phosphateME404678987C011341597-
phosphoenolpyruvate (PEP)Phosphoenolpyruvic acidME4046761005C00074587.3-
phosphoethanolaminePhosphoethanolamineME4046771015C00346638-
phosphatePhosphoric acidME4046751061C00009608-
urateUric acidME4046871175C00366757.1-
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME4046111826C056351510.2-
caprate (10:0)Capric acidME4046282969C015715090.7-
palmitoyl ethanolamidePalmitoyl-EAME4046734671C165126300-
corticosteroneCorticosteroneME4046345753C021405040-
thymidineThymidineME4046855789C002141963.7-
nicotinamide adenine dinucleotide (NAD+)NAD+ME4046705893C000031434-
inosineInosineME4046506021C002941602.1-
uridineUridineME4046886029C002991457.6-
histidineHistidineME4046486274C00135755.9-
guanosineGuanosineME4046446802C003871662-
5-phosphoribosyl diphosphate (PRPP)Phosphoribosyl pyrophosphateME4046167339C00119570-
5-oxoprolinePyroglutamic acidME4046157405C01879738.5-
heptanoate (7:0)Heptylic acidME4046468094C177143670-
caproate (6:0)Caproic acidME4046298892C015852713.7-
guanosine 5'- diphosphate (GDP)GDPME4046458977C00035639-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME4045999378C036721379-
3-indoxyl sulfateIndoxyl sulfateME40460210258-2222.2-
2'-deoxyuridineDeoxyuridineME40458513712C005261586-
1-palmitoylglycerol (16:0)MG 16:0/0:0/0:0ME40457914900-6550-
UDP-glucuronateUDP-glucuronic acidME40468617473C00167588-
2-hydroxydecanoate2-Hydroxycapric acidME40458921488-4840-
adenosine 3'-monophosphate (3'-AMP)3'-AMPME40462241211C013671245-
13-HODE + 9-HODEHODEME40458143013-5275-
xanthosineXanthosineME40469064959C017621075-
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME40457564960C07326802-
2'-deoxyinosineDeoxyinosineME40458465058C055121688-
N-acetylaspartate (NAA)N-Acetylaspartic acidME40465465065C01042620.5-
N-acetyltyrosineN-AcetyltyrosineME40466168310-1680-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME40466769698C058421668-
N-acetylleucineN-AcetylleucineME40465670912C027102400-
phenol sulfatePhenyl hydrogen sulfateME40467474426C021802156-
N-acetylphenylalanineN-AcetylphenylalanineME40465874839C035192597-
6-phosphogluconate6-Phosphogluconic acidME40461791493C00345583.9-
2-hydroxypalmitate2-Hydroxypalmitic acidME40459392836-5511.2-
adenosine 2'-monophosphate (2'-AMP)Adenosine 2'-phosphateME40462094136C009461497.7-
2-hydroxyoctanoate2-Hydroxyoctanoic acidME40459294180-3736.8-
5,6-dihydrouridine5,6-DihydrouridineME40460994312-1119-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME40464294340-1240-
dopamine 3-O-sulfateDopamine 3-O-sulfateME404637122136C136901556.2-
2-palmitoylglycerol (16:0)MG 0:0/16:0/0:0ME404596123409-6400-
dopamine 4-sulfateDopamine 4-sulfateME404638123932C136911511-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME404600151492-1725-
N-acetylthreonineN-AcetylthreonineME404660152204-821.6-
adenosine 3',5'-diphosphateAdenosine 3',5'-diphosphateME404621159296C00054575-
N-acetyltaurineN-AcetyltaurineME404659159864-800-
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME404668161466-2164-
N6-succinyladenosineSuccinyladenosineME404669165243-940-
2-hydroxybehenate2-Hydroxy behenic acidME404588193484-6384-
3'-dephospho-acetyl-CoA-ME404597193680-2313-
cholateCholic acidME404631221493C006955165-
3-hydroxypalmitate3-Hydroxyhexadecanoic acidME404601301590-5476-
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME404682439155C000211832.4-
maltotrioseMaltotrioseME404653439586C01835812-
uridine-2',3'-cyclic monophosphate2',3' cyclic UMPME404689439715C023551090-
N-formylmethionineN-FormylmethionineME404663439750C031451543.8-
3'-dephosphocoenzyme A3'-Dephospho-CoAME404598444485C008822013-
acetyl CoAAcetyl-CoAME404618444493C000241691-
5-methyluridine (ribothymidine)RibothymidineME404614445408-1778.1-
maltotetraoseMaltotetraoseME404652446495C02052910-
N-acetylmethionineN-AcetylmethionineME404657448580C027121787-
riboflavin (Vitamin B2)RiboflavinME404680493570C002553160-
O-sulfo-L-tyrosineSulfotyrosineME404671514186-990-
flavin adenine dinucleotide (FAD)FADME404639643975C000162425-
N-formylphenylalanineN-FormylphenylalanineME404664759256-2360-
2-hydroxyheptanoate2-Hydroxy enanthoic acidME4045902750949-2900-
N-acetylisoleucineN-AcetylisoleucineME4046552802421-2325-
S-(3-hydroxypropyl)mercapturic acid (HPMA)N-Acetyl-S-(3-hydroxypropyl)-cysteineME4046813371179-1576-
prostaglandin F2alphaPGF2alphaME4046795280363C006394658-
15-KETE15-Oxo-ETEME4045835280701C045775270-
15-HETE15-HETEME4045825280724C047425298-
5-HETE5-HETEME4046105280733C048055382-
2-arachidonoylglycerol (20:4)MG 20:4ME4045865282280C138566170-
1-arachidonylglycerol (20:4)MG 20:4ME4045765282281C138576250-
5-KETE5-Oxo-ETEME4046125283159C147325372-
linoleoyl ethanolamideLinoleoyl-EAME4046515283446-6150-
oleoyl ethanolamideOleoyl-EAME4046725283454-6450-
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME4045785283468-6650-
2-hydroxynervonateHydroxynervonic acidME4045915312783-6345-
12-HETE12-HETEME4045805312983-5326-
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME4045955319879-6500-
N-palmitoylserineN-Palmitoyl serineME4046656453686-5557-
C-glycosyltryptophanC-GlycosyltryptophanME40462710981970-1777-
beta-citrylglutamateBeta-Citryl-glutamic acidME40462672715786C20775530-
1-docosahexaenoylglycerol (22:6)MG 22:6ME404577--6150-
2-docosahexaenoylglycerol (22:6)MG 22:6ME404587--6050-
2-methylcitrate/homocitrateHomocitric acidME404594--575-
4-ethylphenylsulfate4-EthylphenolME404605-C136373580-
4-hydroxy-nonenal-glutathione-ME404606--3319.2-
aconitate [cis or trans]cis-Aconitic acidME404619--580-
ascorbate (Vitamin C)Vitamin CME404624-C00072645.3-
fructose 1,6-diphosphate/glucose 1,6-diphosphate/m...Fructose 1,6-bisphosphateME404641-C00354551-
N-arachidonoyltaurineN-Arachidonoyl taurineME404662--5481-
N-stearoylserineN-Stearoyl serineME404666--5777-


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
2-hydroxyglutarate2-Hydroxyglutaric acidME40469443C026303352.8-
3-methyl-2-oxobutyrateKetoisovaleric acidME40470149C00141911-
alpha-ketoglutarate2-Oxoglutaric acidME40471151C000262700-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME40470087C060011619-
acetylphosphateAcetylphosphateME404705186C002274013.9-
adipate (C6-DC)Adipic acidME404706196C061043000-
allantoinAllantoinME404707204C023501672-
salicylateSalicylic acidME404775338C00805802-
pimelate (C7-DC)Pimelic acidME404764385C026562745-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME404699441C010891444-
2-aminoadipatealpha-Aminoadipic acidME404691469C009563500-
methylmalonate (MMA)Methylmalonic acidME404752487C021703078.4-
malateMalic acidME404746525C001493343.1-
lactateLactic acidME404745612C001861468.8-
glutarate (C5-DC)Glutaric acidME404735743C004892900-
glycerateGlyceric acidME404736752C002582070.4-
malonateMalonic acidME404747867C003833447-
myo-inositolMyo-inositolME404755892C001373506.3-
orotateOrotic acidME404760967C002951638.1-
oxalate (ethanedioate)Oxalic acidME404762971C002093803-
pyruvatePyruvic acidME4047661060C000222650-
uracilUracilME4047821174C001061089.7-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME4046971662C037612850-
azelate (C9-DC)Azelaic acidME4047152266C082612520-
riboseRiboseME4047695779C001211508.2-
mannitol/sorbitolSorbitolME4047495780C007942320-
glucose 6-phosphateGlucose 6-phosphateME4047335958C006684537-
fructoseFructoseME4047265984C000952065-
pyridoxate4-Pyridoxic acidME4047656723C00847846-
arabitol/xylitolArabitolME4047136912C019041932.4-
ribitolRibitolME4047676912C004741789.6-
inosine 5'-monophosphate (IMP)IMPME4047428582C001304267.7-
UDP-glucoseUDP-glucoseME4047808629C000293950-
methylsuccinateMethylsuccinic acidME40475410349-2800-
gluconateGluconic acidME40473010690C002572922-
ethylmalonateEthylmalonic acidME40472511756-2785-
galactitol (dulcitol)GalactitolME40472811850C016972360-
methylphosphateMethanolphosphateME40475313130-3760.1-
cyano-alanineCyanoalanineME40471813538C025121516-
cytidine 5'-diphosphocholineCDP-cholineME40472013804C003074200-
UDP-galactoseUDP-galactoseME40477918068C000524000-
mannoseMannoseME40475018950C001592200-
arabinoseArabinoseME40471266308C002161804.5-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME40471669362-1149.8-
3-sulfo-L-alanineCysteic acidME40470472886C005062890-
glycylserineGly-SerME40473973086-2557-
glucoseGlucoseME40473279025C000312342-
N-acetylalanineN-AcetylalanineME40475788064C028471564.8-
orotidineOrotidineME40476192751-2250-
isocitric lactoneIsocitric acid lactoneME40474498259-2970-
glycylglutamateGly-GluME40473899278-3454-
allo-threonineAllothreonineME40470899289C055192511.1-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME40470999823-1052-
N-formylanthranilic acidFormylanthranilic acidME404759101399C05653900-
2-hydroxylignocerateCerebronic acidME404695102430C17873710-
cytidine-5'-diphosphoethanolamineCDP-EthanolamineME404722123727C005704210-
galactose 1-phosphateGalactose 1-phosphateME404729123912C004464552-
serylglycineSer-GlyME404777136488-2450-
threonateThreonic acidME404778151152C016202384-
3-hydroxyadipate3-Hydroxy-adipic acidME404698151913-3131-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME404696188979-1443.3-
2-hydroxyadipate2-Hydroxyadipic acidME404692193530C023603000-
erythritolErythritolME404723222285C005031491-
glycylaspartateGly-AspME404737273261-3573-
cytidine 2',3'-cyclic monophosphate2',3' cyclic CMPME404719417654C023542368-
ribulose 5-phosphateRibulose 5-phosphateME404773439184C001993922-
xylulose 5-phosphateXylulose 5-phosphateME404783439190C002313955-
mannose-6-phosphateMannose 6-phosphateME404751439198C002754510-
glucosamine-6-phosphateGlucosamine 6-phosphateME404731439217C003524521.5-
N-acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME404758439219C003574114-
ribose 1-phosphateRibose 1-phosphateME404770439236C006204025-
pantetheinePantetheineME404763439322C00831927-
inositol 1-phosphate (I1P)Inositol 3-phosphateME404743440194C011774785-
N-acetyl-glucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME404756440364C042564052-
glucuronateGlucuronic acidME404734444791C001913233.3-
fumarateFumaric acidME404727444972C001223084-
cytidine 5'-monophospho-N-acetylneuraminic acidCMP-N-acetylneuraminic acidME404721448209C001283900-
3-methylglutaconate3E-Methylglutaconic acidME4047021551553-2700-
erythronateErythronic acidME4047242781043-2186-
ribulose/xyluloseXyluloseME4047745289590-1400-
sedoheptuloseGlucoheptuloseME4047765459879-2255-
ribonateRibonic acidME4047685460677C016852425-
gulonateGulonic acidME4047419794176C002572750-
maltoseMaltoseME40474810991489C002083329.4-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME404693--1258-
3-methylglutarate/2-methylglutarateMethylglutaric acidME404703--2832-
alpha-ketoglutaramate2-Keto-glutaramic acidME404710--1916-
arabonate/xylonateArabinonic acid/Xylonic acidME404714--2700-
chiro-inositol1D-chiro-InositolME404717-C198913191.2-
guanosine 5'-diphospho-fucose-ME404740--4225-
ribose 5-phosphateRibose 5-phosphateME404771-C001174193-
ribulonate/xylulonate-ME404772--2350-
UDP-N-acetylglucosamine/galactosamineUDP-N-acetyl-D-hexosamineME404781--3665-


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