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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME36623575810C058282064-
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME3662366451814-1989-
1-methylhistidine1-MethylhistidineME36623792105C011522755-
1-methylnicotinamide1-Methyl nicotinamideME366316457C029181940-
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME3662385117448C051312006-
2-aminobutyrate2-Aminobutyric acidME366222439691C022612059-
2-aminoheptanoate2-Aminoheptanoic acidME366337227939-3160-
2-aminooctanoate2-Aminocaprylic acidME36644769522-750-
2-hydroxyglutarate2-Hydroxyglutaric acidME36633843C02630958-
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME3662476426901-3050-
2'-O-methylcytidine2'-O-MethylcytidineME366357150971-2411-
2-oxoarginine*2-OxoarginineME366296558C037711760-
2-piperidinone2-PiperidinoneME36639112665-1675-
3-amino-2-piperidone3-Amino-2-piperidoneME3662975200225-2065-
3-aminoisobutyrate3-Aminoisobutanoic acidME36636164956C051452190-
3-(cystein-S-yl)acetaminophen*3-(Cystein-S-yl)acetaminophenME3663885233914-2420-
3-formylindole1H-Indole-3-carboxaldehydeME36639210256C084932736-
3-hydroxybutyroylglycine**-ME366334--978-
3-methoxytyrosine3-MethoxytyrosineME3662941670-2555-
3-methylcytidine3-MethylcytidineME366358159649-2176-
3-methylhistidine3-MethylhistidineME36623964969C011522670-
3-ureidopropionateUreidopropionic acidME366362111C02642875-
4-cholesten-3-oneCholestenoneME36645491477C005992520-
4-guanidinobutanoate4-Guanidinobutanoic acidME366234500C010352320-
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME366214439902C030791141-
4-imidazoleacetateImidazoleacetic acidME36624096215C028352055-
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME366429--1135-
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME366254123986-2755-
5-hydroxylysine5-HydroxylysineME3662551029C167412790-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME366282439176C001702752-
5-methylthioribose**5-MethylthioriboseME366266494-790-
7-methylguanine7-MethylguanineME36635411361C022422175-
acetylcarnitine (C2)CAR 2:0ME3663331C025712282-
adenineAdenineME366350190C001472221-
adenosine 5'-monophosphate (AMP)AMPME3663516083C000201013-
adipoylcarnitine (C6-DC)CAR DC5:0ME36632871296139-2570-
alanineAlanineME3662055950C000411700-
alpha-tocopherolalpha-TocopherolME36641014985C024772522-
anthranilate2-Aminobenzoic acidME366287227C001082606-
arachidonoylcarnitine (C20:4)CAR 20:4ME366436--1353-
arachidonoylcholineArachidonoylcholineME366440--1390-
arachidoylcarnitine (C20)*CAR 20:0ME366418--1512-
argininate*Argininic acidME366298160437-2150-
arginineArginineME366299232C000622825-
asparagineAsparagineME3662066267C001521225-
aspartateAspartic acidME3662075960C000491165-
behenoylcarnitine (C22)*CAR 22:0ME366419--1561-
beta-alaninebeta-AlanineME366363239C000991905-
beta-cryptoxanthinCryptoxanthinME3664126384256-2560-
betaineBetaineME366227247C007191064-
beta-sitosterolSitosterolME366455222284C017533054-
bilirubin (E,E)*BilirubinME3664055315454-1045-
bilirubin (Z,Z)BilirubinME3664065280352C004861840-
biliverdinBiliverdinME3664075353439C005001016-
butyrylcarnitine (C4)CAR 4:0ME366335439829C028622860-
caffeineCaffeineME3664012519C074812106-
campesterolCampesterolME366456173183C017892873-
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME3662152572-2085-
carnitineCarnitineME36632610917C003181978-
carotene diol (2)Carotene diolME366413--1904-
carotene diol (3)Carotene diolME366414--1948-
cerotoylcarnitine (C26)*CAR 26:0ME366420--1649-
cholesterolCholesterolME36645711025495C001872707-
cholineCholineME366340305C001141961-
choline phosphateCholine phosphateME3663411014C00588700-
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME366430--1057-
citrateCitric acidME366323311C00158915-
citrullineCitrullineME3663009750C003271520-
creatineCreatineME366211586C003001947-
creatinineCreatinineME366212588C007912055-
cys-gly, oxidizedCYS-GLY, oxidizedME366223333293-2947-
cysteineCysteineME3662675862C000971475-
cysteine-glutathione disulfideS-Glutathionyl-cysteineME3662244247235-2465-
cysteine s-sulfateCysteine-S-sulfateME366268115015C05824565-
cysteine sulfinic acid3-Sulfino-alanineME366269109C00606597-
cysteinylglycineCys-GlyME366225439498C014192132-
cysteinylglycine disulfide*Cysteinylglycine disulfideME366226--2547-
cystineCystineME36627067678C004912000-
cytidineCytidineME3663596175C004752124-
cytosineCytosineME366360597C003802060-
decanoylcarnitine (C10)CAR 10:0ME36642510245190-1130-
deoxycarnitine3-DehydroxycarnitineME366327134C011812052-
dihomo-linolenoylcarnitine (C20:3n3 or 6)*CAR 20:3ME366437--1392-
dihomo-linolenoyl-choline-ME366441--1424-
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME366438--1436-
dimethylarginine (SDMA + ADMA)DimethylarginineME366301123831C036262850-
dimethylglycineDimethylglycineME366228673C010261104-
dimethyl sulfoneDimethyl sulfoneME3663856213C11142832-
docosahexaenoylcholine-ME366442--1378-
ectoineEctoineME366386126041C062311980-
ergothioneineErgothioneineME3663933032311C05570850-
formiminoglutamateFormiminoglutamic acidME366241439233C004391880-
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME366369--2380-
gamma-glutamylalaninegamma-GlutamylalanineME366372440103-1986-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME36637065254-2784-
gamma-glutamylcitrulline*-ME366373--1644-
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME3663717015685-2725-
gamma-glutamylglutamategamma-Glutamylglutamic acidME36637492865C052821775-
gamma-glutamylglutaminegamma-GlutamylglutamineME366375150914C052831430-
gamma-glutamylglycinegamma-GlutamylglycineME366376165527-1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME3663777017195-2740-
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME36637814253342-2940-
gamma-glutamylleucinegamma-GlutamylleucineME366379151023-2991-
gamma-glutamylmethioninegamma-GlutamylmethionineME3663807009567-2640-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME366381111299-2992-
gamma-glutamylserinegamma-Glu-SerME366382--1351-
gamma-glutamylthreoninegamma-GlutamylthreonineME36638376078708-1750-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME366411--2384-
glutamateGlutamic acidME366216611C000251500-
glutamineGlutamineME3662175961C000641291-
glutarylcarnitine (C5-DC)CAR DC5:0ME36625671464488-2393-
glycerol 3-phosphatesn-Glycero-3-phosphateME366339754C00093580-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME366342123874C01233659-
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME366343167572-516-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME36634471920C00670672-
glycerophosphoserine*sn-Glycero-3-phosphoserineME3663453081457-577-
glycineGlycineME366229750C000371375-
glycodeoxycholateGlycodeoxycholic acidME3664483035026C054641302-
glycylvalineGly-ValME36636597417-2734-
guanidinoacetateGuanidoacetic acidME366213763C005811937-
guanosineGuanosineME3663556802C003871728-
hemeHemeME36640826945C000321124-
hexanoylcarnitine (C6)CAR 6:0ME3663326426853-3358-
histidine betaine (hercynine)*HercynineME3663943083620-2094-
homoarginineHomoarginineME3663029085C019242882-
homostachydrine*(S)-HomostachydrineME366395441447C082831750-
hydroxyasparagine**HydroxyasparagineME36620897663C031241149-
hydroxy-N6,N6,N6-trimethyllysine*-ME366257--2759-
hypotaurineHypotaurineME366271107812C00519724-
imidazole lactateImidazolelactic acidME366242793C055682040-
imidazole propionateImidazole propanoateME36624370630-2263-
indoleacetylglutamineIndoleacetyl glutamineME36628825200879-2185-
indolin-2-oneIndolin-2-oneME366396321710C123122575-
isobutyrylcarnitine (C4)CAR 3:0;2MeME366248168379-2810-
isocitrateIsocitric acidME3663241198C00311773-
isoleucineIsoleucineME3662496306C004072800-
isovalerylcarnitine (C5)CAR 4:0;3MeME3662506426851-3085-
kynurenineKynurenineME366289161166C003282739-
lanthionineLanthionineME36627298504-1730-
laurylcarnitine (C12)CAR 12:0ME36642610427569-1235-
leucineLeucineME3662516106-2864-
leucylglycineLeu-GlyME36636679070-2778-
lignoceroylcarnitine (C24)*CAR 24:0ME366421--1603-
linoleoylcarnitine (C18:2)*CAR 18:2ME3664396450015-1430-
linoleoylcholine*alpha-LinoleoylcholineME366443--1388-
L-urobilinL-UrobilinME3664095280818C05793901-
lysineLysineME3662585962C000472850-
methionineMethionineME3662736137C000732526-
methionine sulfoneMethionine sulfoneME36627469961-1250-
methionine sulfoxideMethionine sulfoxideME366275158980C029891272-
methyl indole-3-acetateIndole-3-methyl acetateME36639774706-3380-
methylphosphateMethanolphosphateME36634813130-544-
myristoleoylcarnitine (C14:1)*CAR 14:1ME36643190659872-1316-
myristoylcarnitine (C14)CAR 14:0ME3664226426854-1350-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME36631769698C058421250-
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME366318440810C058431260-
N1-methyladenosine1-MethyladenosineME36635227476C024942120-
N1-methylinosine1-MethylinosineME36634965095-1430-
N1,N12-diacetylspermineN1,N12-DiacetylspermineME366285132680C034133105-
(N(1) + N(8))-acetylspermidineAsparagineME366281--3080-
N2-acetyl,N6-methyllysineN2-Acetyl,N6-methyllysineME366261--2168-
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME36635692919-2210-
N6-methyladenosineN6-MethyladenosineME366353102175-2264-
N6-methyllysineN(6)-MethyllysineME366264164795C027282831-
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME366263193344C055452831-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME366262440120C037932825-
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME36624453859791-2100-
N-acetylarginineN-AcetylarginineME36630467427C025622245-
N-acetylasparagineN-AcetylasparagineME36620999715-785-
N-acetylcitrullineN-AcetylcitrullineME366305656979C155321010-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME36631324139-715-
N-acetylglucosaminylasparagineAspartylglycosamineME366314123826C045401212-
N-acetylglutamateN-Acetylglutamic acidME36621870914C006241050-
N-acetylglutamineN-AcetylglutamineME366219182230C02716845-
N-acetylglycineN-AcetylglycineME36623010972-826-
N-acetylhistidineN-AcetylhistidineME36624575619C029972065-
N-acetyl-isoputreanineN-AcetylisoputreanineME366283131802901-2305-
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME366276193368-880-
N-acetylneuraminateN-Acetylneuraminic acidME366315439197C00270660-
N-acetylputrescineN-AcetylputrescineME366284122356C027142230-
N-carbamoylalanineN-CarbamoylalanineME366210426409-950-
nervonoylcarnitine (C24:1)*CAR 24:1ME366432--1602-
nicotinamideNiacinamideME366319936C001531942-
N-methylpipecolateN-methyl pipecolic acidME36638411286529-1932-
N-methylprolineN-Methyl-prolineME366306557-1335-
N-monomethylarginineTarginineME366307132862C038842845-
N,N-dimethyl-5-aminovalerateN,N-Dimethyl-5-aminovaleric acidME366260--2290-
N,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-5-aminovalerateME36625914274897-2186-
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME366303--2470-
nonanoylcarnitine (C9)CAR 9:0ME366427--1010-
octadecanedioylcarnitine (C18-DC)*CAR DC18:0ME366416--1227-
octadecenedioylcarnitine (C18:1-DC)*CAR DC18:1ME366417--1180-
octanoylcarnitine (C8)CAR 8:0ME366428123701C02838950-
oleoylcarnitine (C18:1)CAR 18:1ME3664336441392-1423-
oleoylcholineOleoylcholineME366444--1449-
ornithineOrnithineME3663086262C000772800-
palmitoleoylcarnitine (C16:1)*CAR 16:1ME36643471464547-1357-
palmitoylcarnitine (C16)CAR 16:0ME366423461C029901425-
palmitoylcholinePalmitoylcholineME366445151731-1482-
paraxanthineParaxanthineME3664024687C137471810-
phenylacetylcarnitine-ME366364101724840-3092-
phenylalaninePhenylalanineME3662806140C000792878-
phenylalanylglycinePhe-GlyME36636798207-2898-
phosphatePhosphoric acidME3663221061C00009576-
phosphoethanolaminePhosphoethanolamineME3663461015C00346700-
picolinatePicolinic acidME3662901018C10164910-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME366329--2773-
pipecolatePipecolic acidME366265849C004082200-
pro-hydroxy-proPro-hydroxyProME36630911673055-2128-
prolineProlineME366310145742C001481603-
prolylglycinePro-GlyME3663686426709-2136-
propionylcarnitine (C3)CAR 3:0ME366336107738C030172590-
pyroglutamine*PyroglutamineME366220134508-1900-
quinolinateQuinolinic acidME3663201066C03722845-
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME36633053481617-2400-
retinol (Vitamin A)RetinolME366415445354C004731636-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME3662211196C043221528-
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME366331--2340-
S-allylcysteineS-AllylcysteineME36639898280-2690-
sarcosineSarcosineME3662311088C002131280-
S-carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME3663901080C037271490-
serineSerineME3662325951C000651239-
serotoninSerotoninME3662915202C007802550-
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME36627782142-900-
S-methylmethionineS-MethylmethionineME366278458C053192555-
spermidineSpermidineME3662861102C003153355-
sphingadienineSphingadienineME3664496449795-1350-
sphinganineSphinganineME3664503126C008361413-
sphinganine-1-phosphateSphinganine 1-phosphateME366451520-1431-
sphingosineSphingosineME3664525353955C003191393-
sphingosine 1-phosphateSphingosine 1-phosphateME3664535283560C061241375-
stachydrineStachydrineME366399115244C101721440-
stearoylcarnitine (C18)CAR 18:0ME3664246426855-1485-
stearoylcholine*StearoylcholineME366446--1520-
succinylcarnitine (C4-DC)CAR DC4:0ME36632571464481-2291-
sulfamethoxazoleSulfamethoxazoleME3663895329D00285,C07315,D004472405-
taurineTaurineME3662791123C00245660-
theanineN(5)-Ethyl-glutamineME366400439378C010472180-
theobromineTheobromineME3664035429C074801600-
theophyllineTheophyllineME3664042153C071301870-
thioprolineThioprolineME36638793176-1250-
threonineThreonineME3662336288C001881514-
tiglylcarnitine (C5:1-DC)CAR DC5:1ME36625222833596-2962-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME3663115810C011571064-
trans-urocanateUrocanic acidME366246736715C007852285-
trigonelline (N'-methylnicotinate)TrigonellineME3663215570C010041388-
trimethylamine N-oxideTrimethylamine N-oxideME3663471145C011042100-
tryptophanTryptophanME3662926305C000782986-
tryptophan betaineLenticinME366293442106C092132673-
tyrosineTyrosineME3662956057C000822430-
ureaUreaME3663121176C00086700-
valineValineME3662536287C001832479-
ximenoylcarnitine (C26:1)*CAR 26:1ME366435--1607-


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME3665995312435-5555-
10-undecenoate (11:1n1)10-Hendecenoic acidME36662914891C139105085.8-
12,13-DiHOME12,13-DiHOMEME36658210236635C148295137-
1,2,3-benzenetriol sulfate (2)-ME366732--1709-
12-HETE12-HETEME3665485312983-5326-
12-HHTrE12S-HHTrEME3665495283141C203885175-
13-HODE + 9-HODEHODEME36658443013-5275-
14-HDoHE/17-HDoHE-ME366547--5296-
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME36652964960C07326802-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME366537--4240-
1,7-dimethylurate1,7-Dimethyluric acidME36677591611C163561578.6-
1-carboxyethylisoleucine1-CarboxyethylisoleucineME366465--2628-
1-carboxyethylleucine1-CarboxyethylleucineME366466--2663-
1-carboxyethylphenylalanine1-CarboxyethylphenylalanineME366491--2844-
1-carboxyethyltyrosine1-CarboxyethyltyrosineME366511--1846-
1-carboxyethylvaline1-CarboxyethylvalineME366467--2008-
1-hydroxy-2-naphthalenecarboxylate1-Hydroxy-2-naphthoateME3667576844C032033930-
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME366626--5516-
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME3666273300276-5570-
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME366628--5816-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME366636134595-3935-
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME366468301941-787-
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME366485--1156-
(2,4 or 2,5)-dimethylphenol sulfate-ME366760--3474-
2,6-dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME3667589338-2575-
2-aminoadipatealpha-Aminoadipic acidME366482469C00956639.2-
2-aminophenol sulfate2-Aminophenyl sulfateME366733181670-1677-
2'-deoxyuridineDeoxyuridineME36668113712C005261586-
2-ethylphenylsulfate-ME366712--3416-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME366469164623-1800-
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME36674486290013-1674-
2-hydroxydecanoate2-Hydroxycapric acidME36658521488-4840-
2-hydroxyfluorene sulfate-ME366774--4372-
2-hydroxynervonate*Hydroxynervonic acidME3665865312783-6345-
2-hydroxyoctanoate2-Hydroxyoctanoic acidME36658794180-3736.8-
2-hydroxypalmitate2-Hydroxypalmitic acidME36658892836-5511.2-
2-hydroxystearate2-Hydroxystearic acidME36658969417C030455695-
2-methoxyacetaminophen glucuronide*2-Methoxyacetaminophen glucuronideME36674514367271-1633-
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME36674686290014-1949-
2-methoxyresorcinol sulfate-ME366734--1863-
2-methylcitrate/homocitrateHomocitric acidME366534--575-
2-naphthol sulfate2-Naphthyl sulfateME36673574428-3658-
2'-O-methyluridine2'-O-MethyluridineME366682102212-1831-
3-(3-amino-3-carboxypropyl)uridine*3-(3-amino-3-carboxypropyl)uridineME366683171198-1369-
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME36671391C114571980-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME3665129378C036721379-
3-acetylphenol sulfate3-Acetylphenol sulfateME366736--2477-
3beta,7alpha-dihydroxy-5-cholestenoate3beta,7alpha-Dihydroxy-5-cholestenoic acidME3666703081084C173355275-
3beta-hydroxy-5-cholestenoateCholestenoic acidME366671165511C173335398-
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME36665492997-5205-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME366563194501-4000-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME366564123979-2800-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME366470188979-975-
3-hydroxydecanoate3-Hydroxydecanoic acidME36659026612-4634.7-
3-hydroxydodecanedioate*3-Hydroxy-dodecanedioic acidME36656516663321-2252-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME366591151492-1725-
3-hydroxyhippurate3-Hydroxyhippuric acidME366714450268-1687-
3-hydroxylaurate3-Hydroxydodecanoic acidME36659294216-5175-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME36659326613-3446-
3-hydroxyoleate*-ME366594--5508-
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME366737--1595.5-
3-indoxyl sulfateIndoxyl sulfateME36649810258-2222.2-
3-methoxycatechol sulfate (1)-ME366715--2163-
3-methoxytyramine sulfate3-Methoxytyramine sulfateME366513--1722-
3-methyl-2-oxobutyrateKetoisovaleric acidME36647149C001411465-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME36647247C006712064.2-
3-methyl catechol sulfate (1)-ME366716--2790-
3-(methylthio)acetaminophen sulfate*-ME366747--2265-
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME36674883967-2094-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME366717107C056292860-
4-acetamidobutanoate4-Acetamidobutanoic acidME36649618189C02946894-
4-acetamidophenolAcetaminophenME3667491983C068042173.7-
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME36675083944-1400-
4-acetaminophen sulfateParacetamol sulfateME36675183939C068041792-
4-acetylphenol sulfate4-Acetylphenyl sulfateME3667184684006-2375-
4-allylphenol sulfate4-Allylphenol sulfateME366761--3805-
4-ethylphenylsulfate4-EthylphenolME36671920822574C136373580-
4-hydroxycoumarin4-HydroxycoumarinME36675654682930C204142470-
4-hydroxyhippurate4-Hydroxyhippuric acidME366720151012-1475-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME366492127C006421361-
4-hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME366692--1650-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME366514979C011791690-
4-methyl-2-oxopentanoateKetoleucineME36647370C002332170-
4-methylcatechol sulfate-ME366721--2665-
4-methylguaiacol sulfate-ME366722--2978-
4-vinylguaiacol sulfate4-Vinylguaiacol sulfateME366762--3354-
4-vinylphenol sulfate4-HydroxystyreneME3667236426766C056273320-
5,6-dihydrothymineDihydrothymineME36668093556C009061637.8-
5,6-dihydrouracilDihydrouracilME366684649C004291120-
5,6-dihydrouridine5,6-DihydrouridineME36668594312-1119-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME366652--3962-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME366653--5060-
5-dodecenoate (12:1n7)5-Dodecenoic acidME3666305312378-5224-
5-hydroxyhexanoate5-Hydroxycaproic acidME366595170748-1267-
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME3665001826C056351510.2-
5-hydroxyindole sulfate-ME366499--1928-
5-methyluridine (ribothymidine)RibothymidineME366686445408-1778.1-
5-oxoprolinePyroglutamic acidME3664617405C01879738.5-
6-bromotryptophan6-BromotryptophanME366501--3565-
6-hydroxyindole sulfate6-Hydroxyindole sulfateME366738122198196-2498-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME3664833014237-965-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME3666723081085C173375288.1-
7-hydroxyindole sulfate-ME366502--1765-
8-hydroxyoctanoate8-Hydroxyoctanoic acidME36659669820-2300-
9,10-DiHOME9,10-DiHOMEME3665839966640C148285180-
acesulfameAcesulfameME36676336573-1581-
acisogaAcisogaME366497129397-2297-
aconitate [cis or trans]cis-Aconitic acidME366535--580-
adrenate (22:4n6)Adrenic acidME3666055497181C165275678-
alpha-hydroxycaproate2-Hydroxyhexanoic acidME36659799824-1920-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME36647483697C032641840-
androstenediol (3alpha, 17alpha) monosulfate (3)-ME366538--5180-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME36653987120982C042953740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME36654087120982C042954065-
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME366541159663-5022-
arachidate (20:0)Arachidic acidME36662010467C064256240-
arachidonate (20:4n6)Arachidonic acidME366606444899C002195535-
azelate (C9-DC)Azelaic acidME3665662266C082611276-
benzoateBenzoic acidME366724243C001801750-
beta-citrylglutamateBeta-Citryl-glutamic acidME36645972715786C20775530-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME36647569362-1027-
caprate (10:0)Capric acidME3666312969C015715090.7-
caproate (6:0)Caproic acidME3666328892C015852713.7-
caprylate (8:0)Caprylic acidME366633379C064234362-
catechol sulfateCatechol sulfateME3667253083879-1906-
C-glycosyltryptophanC-GlycosyltryptophanME36650310981970-1777-
cholateCholic acidME366642221493C006955165-
cinnamoylglycineCinnamoylglycineME366764709625-3127-
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME3666345312351-4890-
corticosteroneCorticosteroneME3665435753C021405040-
cortisolCortisolME3665445754C007354710-
cortisoneCortisoneME366545222786C007624575-
dehydroepiandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME36654212594C045554745-
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME3666076439848C165255730-
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME3666085280581C032425596-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME3666095282807C165336034-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME366610445580C064295525-
docosapentaenoate (n3 DPA; 22:5n3)DPAME3666116441454C165135571-
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME3666126441454C165135624.5-
dodecadienoate (12:2)*Dodecadienoic acidME366567--5146-
dodecanedioate (C12-DC)Dodecanedioic acidME36656812736C026782990-
dodecenedioate (C12:1-DC)*Traumatic acidME366569--2700-
dopamine 3-O-sulfateDopamine 3-O-sulfateME366515122136C136901556.2-
dopamine 4-sulfateDopamine 4-sulfateME366516123932C136911511-
eicosanedioate (C20-DC)Eicosanedioic acidME36657075502-5200.9-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME366613446284C064285450-
eicosenedioate (C20:1-DC)*-ME366571--5095-
eicosenoate (20:1)cis-Gondoic acidME3666005282768C165265950-
erucate (22:1n9)cis-Erucic acidME3666015281116C083166355.6-
eugenol sulfateEugenol sulfateME366765180632-3782-
Fibrinopeptide A (2-15)**-ME366698--2120-
Fibrinopeptide A (3-15)**-ME366699--2419-
Fibrinopeptide A (3-16)**-ME366700--2786-
Fibrinopeptide A (4-15)**-ME366701--2570-
Fibrinopeptide A (5-16)*-ME366702--2850-
Fibrinopeptide A (7-16)*-ME366703--3258-
Fibrinopeptide A (8-16)**-ME366704--3944-
Fibrinopeptide A, des-ala(1)*-ME366705--2535-
Fibrinopeptide B (1-11)**-ME366706--2389-
Fibrinopeptide B (1-12)**-ME366707--2366-
Fibrinopeptide B (1-13)**-ME366708--2482-
gamma-CEHCgamma-CEHCME366532133098-3843-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME36670994340-1240-
gamma-glutamylvalinegamma-GlutamylvalineME3667107015683-1072-
glucuronide of C12H22O4 (1)*-ME366690--2590-
glucuronide of C14H26O4 (1)*-ME366691--3200-
glu-gly-asn-val**-ME366711--1000-
glycerolGlycerolME366598753C00116758-
glyco-alpha-muricholate**-ME366643--4734-
glyco-beta-muricholate**Glyco-beta-muricholic acidME366644--4762-
glycochenodeoxycholateGlycochenodeoxycholic acidME36664512544C054665236.1-
glycochenodeoxycholate 3-sulfateGlycochenodeoxycholic acid 3-sulfateME366646--4820-
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME366647--4806-
glycocholateGlycocholic acidME36664810140C019215163-
glycocholenate sulfate*Glycocholenate sulfateME366655--4750-
glycodeoxycholate 3-sulfateGlycodeoxycholic acid 3-sulfateME366656--4875-
glycohyocholateGlycohyocholic acidME366657--5020-
glycolithocholateGlycolithocholic acidME366658115245C155575357.1-
glycolithocholate sulfate*Sulfoglycolithocholic acidME36665972222C113015011-
glycoursodeoxycholateGlycoursodeoxycholic acidME36666012310288-5033-
guaiacol sulfateGuaiacol sulfateME36672622473-2344-
heneicosapentaenoate (21:5n3)Heneicosapentaenoic acidME36661411998573-5514-
heptanoate (7:0)Heptylic acidME3666358094C177143670-
hexadecadienoate (16:2n6)Hexadecadienoic acidME36661513932172-5398-
hexadecanedioate (C16-DC)Hexadecanedioic acidME36657210459C196154615-
hexadecenedioate (C16:1-DC)*-ME366573--4380-
hexanoylglutamineHexanoylglutamineME366557--2780-
hexanoylglycineHexanoylglycineME36655899463-2900-
hippurateHippuric acidME366727464C015862106.9-
histidineHistidineME3664636274C00135755.9-
homovanillate (HVA)Homovanillic acidME3665171738C055821649-
hydroquinone sulfateQuinol sulfateME366759161220C005301395-
hydroxy-CMPF*-ME366574--1516-
hypoxanthineHypoxanthineME366673790C002621291.2-
indole-3-carboxylateIndole-3-carboxylic acidME36650469867C198371710-
indoleacetateIndoleacetic acidME366505802C009542200-
indolelactateIndolelactic acidME36650692904C020432286-
indolepropionate3-Indolepropionic acidME3665073744-2795-
indolepropionylglycineIndolepropionylglycineME3665087677842-2926-
inosineInosineME3666746021C002941602.1-
isobutyrylglycineIsobutyrylglycineME36647610855600-1420-
isoeugenol sulfate-ME366766--3893-
isoleucylglycineIle-GlyME366695342532-1992-
isoursodeoxycholateIsoursodeoxycholic acidME366661127601C176624809-
isovalerate (i5:0)Isovaleric acidME36647710430C082621564-
isovalerylglycineIsovalerylglycineME366478546304-1950-
kynurenateKynurenic acidME3665093845C017172224-
linoleate (18:2n6)Linoleic acidME3666165280450C015955535-
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME3666175280934C064265450-
lithocholate sulfate (1)Lithocholic acid sulfateME366662--4811-
malateMalic acidME366536525C00149615.6-
margarate (17:0)Margaric acidME36662110465-5731-
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME366728--2873-
methyl glucopyranoside (alpha + beta)Methyl glucoseME366767--1070-
methylnaphthyl sulfate (1)*-ME366739--4117-
methylnaphthyl sulfate (2)*-ME366740--4163-
metronidazoleMetronidazoleME3667534173D004092339-
myristate (14:0)Myristic acidME36662211005C064245440-
myristoleate (14:1n5)Myristoleic acidME3666025281119C083225346.9-
N-(2-furoyl)glycine2-FuroylglycineME36676821863-1525-
N2,N5-diacetylornithineN2,N5-DiacetylornithineME36652865977-1367-
N4-acetyl-5-hydroxysulfamethoxazole*-ME366754--1745-
N4-acetylcytidineN4-AcetylcytidineME366679107461-2040-
N4-acetylsulfamethoxazole*N-AcetylsulfamethoxazoleME36675565280C13061,D016012489-
N6-acetyllysineN6-AcetyllysineME36648492832C027271059-
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME366677161466-2164-
N6-succinyladenosineSuccinyladenosineME366678165243-940-
N-acetyl-2-aminooctanoate*N-Acetyl-2-aminooctanoic acidME36656295555-3943-
N-acetylaspartate (NAA)N-Acetylaspartic acidME36645865065C01042620.5-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME3664605255C12270575.3-
N-acetyl-beta-alanineN-Acetyl-beta-alanineME36668776406C01073773-
N-acetylcarnosineN-AcetylcarnosineME3664649903482-1235-
N-acetylisoleucineN-AcetylisoleucineME366479306109-2325-
N-acetylleucineN-AcetylleucineME36648070912C027102400-
N-acetylmethionineN-AcetylmethionineME366486448580C027121787-
N-acetylphenylalanineN-AcetylphenylalanineME36649374839C035192597-
N-acetyltaurineN-AcetyltaurineME366487159864-800-
N-acetylthreonineN-AcetylthreonineME366462152204-821.6-
N-acetyltyrosineN-AcetyltyrosineME36651868310-1680-
N-acetylvalineN-AcetylvalineME36648166789-1704-
N-delta-acetylornithineN(5)-Acetyl-ornithineME3665279920500-858-
N-formylanthranilic acidFormylanthranilic acidME366510101399C056532150-
N-formylmethionineN-FormylmethionineME366488439750C031451543.8-
N-formylphenylalanineN-FormylphenylalanineME366519759256-2360-
N-linoleoylserine*-ME366561--5492-
N-linoleoyltaurine*N-Linoleoyl taurineME366551--5505-
N-oleoylserineNASer 18:1(9Z)ME366552--5600-
nonadecanoate (19:0)Nonadecylic acidME36662312591C165356068-
N-palmitoylglycineN-Palmitoyl glycineME366559151008-5580-
N-palmitoylserineN-Palmitoyl serineME3665536453686-5557-
N-stearoylserine*N-Stearoyl serineME366554--5777-
N-stearoyltaurineN-Stearoyl taurineME366555168274-5782-
o-cresol sulfateo-Cresol sulfateME36672911615528-2796-
octadecadienedioate (C18:2-DC)*Octadecanedioic acidME366575--4676-
octadecanedioate (C18-DC)Octadecanedioic acidME36657670095-5043-
octadecenedioate (C18:1-DC)-ME366577--4875-
oleate/vaccenate (18:1)Oleic acidME366603--5655-
oleoyl ethanolamideOleoyl-EAME3665565283454-6450-
O-sulfo-L-tyrosineSulfotyrosineME366741514186-990-
oxalate (ethanedioate)Oxalic acidME366530971C00209603-
palmitate (16:0)Palmitic acidME366624985C002495618-
palmitoleate (16:1n7)Palmitoleic acidME366604445638C083625475-
pantothenatePantothenic acidME3665316613C008641498.7-
p-cresol glucuronide*P-Cresol glucuronideME366520154035-2420-
p-cresol sulfatep-Cresol sulfateME3667304615423-2890-
perfluorooctanoate (PFOA)Perfluorooctanoic acidME3667429554-5130-
phenol glucuronidePhenyl glucuronideME36652187235-1800-
phenol sulfatePhenyl hydrogen sulfateME36652274426C021802156-
phenylacetatePhenyl acetateME366494999C070862150-
phenylacetylglutamateN-Phenylacetylglutamic acidME36669311579826-1570-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME36669492258C041482330-
phenyllactate (PLA)Phenyllactic acidME3664953848C056072208-
pregnenediol disulfate (C21H34O8S2)*-ME366637--3868-
pregnenediol sulfate (C21H34O5S)*Pregnenolone sulfateME366638--5000-
pregnenetriol disulfate*-ME366639--3504-
pregnenetriol sulfate*-ME366640--4749-
pregnenolone sulfatePregnenolone sulfateME366641105074-5100-
propionylglycinePropionylglycineME36656098681-960-
propyl 4-hydroxybenzoate sulfate-ME366731--3971-
pseudouridinePseudouridineME36668815047C020671100-
pyridoxate4-Pyridoxic acidME3665336723C008472185-
pyrralinePyrralineME366769122228-2304-
saccharinSaccharinME3667705143D010852000-
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME366489439155C000211832.4-
salicyluric glucuronide*Salicyluric glucuronideME366752--1463-
S-methylcysteineMethylcysteineME36649024417-880-
stearate (18:0)Stearic acidME3666255281C015305872-
stearidonate (18:4n3)Stearidonic acidME3666185312508C163005395-
sulfate*SulfateME3667431118C00059616-
syringol sulfate-ME366771--2395-
tartronate (hydroxymalonate)Hydroxypropanedioic acidME36677245C02287610-
tauro-beta-muricholateTauro-beta-muricholic acidME366649168408-4774-
taurochenodeoxycholateTaurochenodeoxycholic acidME366650387316C054655250-
taurochenodeoxycholic acid 3-sulfateTaurochenodeoxycholic acid 3-sulfateME366663--4809-
taurocholateTaurocholic acidME3666516675C051225150-
taurocholenate sulfate*Taurocholenate sulfateME366664--4750-
taurodeoxycholic acid 3-sulfateTaurodeoxycholic acid 3-sulfateME366665--4850-
taurohyocholate*Taurohyocholic acidME366666--5000-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME366667440071C036425027-
tauroursodeoxycholateTauroursodeoxycholic acidME3666689848818-5025-
tetradecadienedioate (C14:2-DC)*-ME366578--3148-
tetradecadienoate (14:2)*Tetradecadienoic acidME3666195312409-5292-
tetradecanedioate (C14-DC)Tetradecanedioic acidME36657913185-3985-
tetrahydrocortisol sulfate (1)-ME366546--4276-
threonylphenylalanineThr-PheME3666964099799-2322-
thromboxane B2TXB2ME3665505283137C059634526-
thymol sulfate-ME366773-C099084410-
thyroxineThyroxineME3665235819C018294808-
tridecenedioate (C13:1-DC)*-ME366580--3051-
tyramine O-sulfateTyramine-O-sulfateME366524153005-1565-
undecanedioate (C11-DC)Undecanedioic acidME36658115816-2440-
urateUric acidME3666751175C00366757.1-
uridineUridineME3666896029C002991457.6-
valerate (5:0)Valeric acidME3666697991C008031718-
valylglycineVal-GlyME366697136487-1506-
vanillactateVanillactic acidME366525160637-1625-
vanillylmandelate (VMA)Vanillylmandelic acidME3665261245C05584941-
xanthosineXanthosineME36667664959C017621075-


Analysis: Reversed phase UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-arachidonoyl-GPA (20:4)LPA 20:4/0:0ME366833--1393-
1-linoleoyl-GPA (18:2)*LPA 18:2/0:0ME366834--1441-
1-methylurate1-Methyluric acidME36685669726C163591900-
1-oleoyl-GPA (18:1)LPA 18:1/0:0ME3668355497152-1433-
1-palmitoyl-GPA (16:0)LPA 16:0/0:0ME3668366419701C040361445-
2,2'-Methylenebis(6-tert-butyl-p-cresol)-ME3668468398-703-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME366849677C040391050-
2-hydroxyadipate2-Hydroxyadipic acidME366817193530C023603000-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME366778--1258-
2-hydroxyheptanoate*2-Hydroxy enanthoic acidME3668282750949-925-
2-hydroxyhippurate (salicylurate)Salicyluric acidME36684510253C075881123.9-
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME36678811970C05852858.6-
2-isopropylmalate2-Isopropylmalic acidME36685077C025042605-
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME366851161227C002041900-
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME36682610964471-1660-
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME366827--2204-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME3668371662C037612850-
3-hydroxyadipate*3-Hydroxy-adipic acidME366818151913-3131-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME366832441C010891480-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME36678187C060011619-
3-hydroxysebacate3-Hydroxysebacic acidME3668293017884-2411-
3-methyladipate3-Methyladipic acidME36681912292-2865-
3-methylglutaconate3E-Methylglutaconic acidME3667821551553-2700-
3-sulfo-L-alanineCysteic acidME36678672886C005062890-
allantoinAllantoinME366838204C023501672-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME36678399823-1052-
alpha-ketobutyrate3-Methyl pyruvic acidME36678758C00109940-
alpha-ketoglutaramate*2-Keto-glutaramic acidME36677748-1916-
alpha-ketoglutarate2-Oxoglutaric acidME36681351C000262700-
arabinoseArabinoseME36680366308C002161804.5-
arabitol/xylitolArabitolME366804--1932.4-
arabonate/xylonateArabinonic acid/Xylonic acidME366805--2700-
dihydroorotate4,5-Dihydroorotic acidME366840648C003371910-
erythritolErythritolME366852222285C005031491-
erythronate*Erythronic acidME3667922781043-2186-
ethylmalonateEthylmalonic acidME36678411756-2785-
Fibrinopeptide B (1-9)**-ME366844--4416-
fructoseFructoseME3667945984C000952065-
fumarateFumaric acidME366814444972C001223084-
galactonateGalactonic acidME366795128869C008803085-
gentisateGentisic acidME3667903469C00628905-
gluconateGluconic acidME36685310690C002572922-
glucoseGlucoseME3667995793C000312342-
glucuronateGlucuronic acidME366793444791C001913233.3-
glutarate (C5-DC)Glutaric acidME366820743C004892900-
glycerateGlyceric acidME366800752C002582070.4-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME366830439964C032742430-
gulonate*Gulonic acidME366811152304C002572750-
heptenedioate (C7:1-DC)*-ME366821--2816-
homocitrullineHomocitrullineME36679165072C024273006.8-
hydantoin-5-propionateHydantoin-5-propionic acidME366780782C055652080-
lactateLactic acidME366801612C001861469-
maleateMaleic acidME366822444266C013842640-
maltoseMaltoseME36679810991489C002083329.4-
mannitol/sorbitolSorbitolME3667965780C007942320-
mannonate*Mannonic acidME3668543246006-2736-
mannoseMannoseME36679718950C001592200-
methylmalonate (MMA)Methylmalonic acidME366816487C021703078.4-
methylsuccinateMethylsuccinic acidME36678510349-2800-
myo-inositolMyo-inositolME366831892C001373506.3-
N-acetylalanineN-AcetylalanineME36677688064C028471564.8-
N-acetylserineN-AcetylserineME36677965249-2000-
orotateOrotic acidME366841967C002951638.1-
orotidineOrotidineME36684292751-2250-
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME36684774483C18142662-
phenylpyruvatePhenylpyruvic acidME366789997C00166845-
pimelate (C7-DC)Pimelic acidME366823385C026562745-
pyruvatePyruvic acidME3668021060C000221083-
quinateQuinic acidME3668556508C002962432.9-
ribitolRibitolME3668066912C004741789.6-
ribonateRibonic acidME3668075460677C016852425-
riboseRiboseME3668085779C001211508.2-
ribulonate/xylulonate/lyxonate*-ME366809--2350-
salicylateSalicylic acidME366848338C00805802-
sebacate (C10-DC)Sebacic acidME3668245192C082772147-
suberate (C8-DC)Suberic acidME36682510457C082782577.6-
succinateSuccinic acidME3668151110C000423149-
threonateThreonic acidME366812151152C016202384-
uracilUracilME3668431174C001061089.7-
xanthineXanthineME3668391188C003852023-
xyloseXyloseME366810135191C001811727-


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