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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 acidME32066375810C058282064-
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME3206646451814-1989-
1-methylhistidine1-MethylhistidineME32066592105C011522755-
1-methylnicotinamide1-Methyl nicotinamideME32066610129985C029181940-
1-ribosyl-imidazoleacetateImidazoleacetic acid ribosideME3206675117448C051312006-
2-aminobutyrate2-Aminobutyric acidME320669439691C022612059-
2-aminoheptanoate2-Aminoheptanoic acidME320670227939-3160-
2-aminooctanoate2-Aminocaprylic acidME32060669522-750-
2-hydroxyglutarate2-Hydroxyglutaric acidME32067143C02630958-
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME3206726426901-3050-
2'-O-methylcytidine2'-O-MethylcytidineME320668150971-2411-
2-oxoarginine2-OxoarginineME320673558C037711760-
2-piperidinone2-PiperidinoneME32067412665-1675-
3-amino-2-piperidone3-Amino-2-piperidoneME3206765200225-2065-
3-aminoisobutyrate3-Aminoisobutanoic acidME32067764956C051452190-
3-(cystein-S-yl)acetaminophen3-(Cystein-S-yl)acetaminophenME3206755233914-2420-
3-formylindole1H-Indole-3-carboxaldehydeME32067810256C084932736-
3-hydroxybutyroylglycine-ME320679--978-
3-methoxytyrosine3-MethoxytyrosineME3206801670-2555-
3-methylcytidine3-MethylcytidineME320681159649-2176-
3-methylhistidine3-MethylhistidineME32068264969C011522670-
3-ureidopropionateUreidopropionic acidME320683111C02642875-
4-cholesten-3-oneCholestenoneME32060791477C005992520-
4-guanidinobutanoate4-Guanidinobutanoic acidME320684500C010352320-
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME320685439902C030791141-
4-imidazoleacetateImidazoleacetic acidME32068696215C028352055-
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME320608--1135-
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME320687--2755-
5-hydroxylysine5-HydroxylysineME3206881029C167412790-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME320689439176C001702752-
5-methylthioribose5-MethylthioriboseME320690494-790-
7-methylguanine7-MethylguanineME32069111361C022422175-
acetylcarnitine (C2)CAR 2:0ME3206921C025712282-
adenineAdenineME320693190C001472221-
adenosine 5'-monophosphate (AMP)AMPME3206946083C000201013-
adipoylcarnitine (C6-DC)CAR DC5:0ME32069571296139-2570-
alanineAlanineME3206965950C000411700-
alpha-tocopherolalpha-TocopherolME32060914985C024772522-
anthranilate2-Aminobenzoic acidME320697227C001082606-
arachidonoylcarnitine (C20:4)CAR 20:4ME320610--1353-
arachidonoylcholineArachidonoylcholineME320611--1390-
arachidoylcarnitine (C20)CAR 20:0ME320612--1512-
argininateArgininic acidME320698160437-2150-
arginineArginineME320699232C000622825-
asparagineAsparagineME3207006267C001521225-
aspartateAspartic acidME3207015960C000491165-
behenoylcarnitine (C22)CAR 22:0ME320613--1561-
beta-alaninebeta-AlanineME320702239C000991905-
beta-cryptoxanthinCryptoxanthinME3206146384256-2560-
betaineBetaineME320703247C007191064-
beta-sitosterolSitosterolME320615222284C017533054-
betonicineBetonicineME320704164642C082691012-
bilirubin (E,E)BilirubinME3206165315454-1045-
bilirubin (Z,Z)BilirubinME3206175280352C004861840-
biliverdinBiliverdinME3206185353439C005001016-
butyrylcarnitine (C4)CAR 4:0ME320705439829C028622860-
caffeineCaffeineME3207062519C074812106-
campesterolCampesterolME320619173183C017892873-
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME3207072572-2085-
carnitineCarnitineME32070810917C003181978-
carotene diol (2)Carotene diolME320620--1904-
carotene diol (3)Carotene diolME320621--1948-
cerotoylcarnitine (C26)CAR 26:0ME320622--1649-
cholesterolCholesterolME32062311025495C001872707-
cholineCholineME320709305C001141961-
choline phosphateCholine phosphateME3207101014C00588700-
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME320624--1057-
citrateCitric acidME320711311C00158915-
citrullineCitrullineME3207129750C003271520-
creatineCreatineME320713586C003001947-
creatinineCreatinineME320714588C007912055-
cys-gly, oxidizedCYS-GLY, oxidizedME320715333293-2947-
cystathionineCystathionineME320716439258C022912270-
cysteineCysteineME3207175862C000971475-
cysteine-glutathione disulfideS-Glutathionyl-cysteineME3207204247235-2465-
cysteine s-sulfateCysteine-S-sulfateME320718115015C05824565-
cysteine sulfinic acid3-Sulfino-alanineME320719109C00606597-
cysteinylglycineCys-GlyME320721439498C014192132-
cysteinylglycine disulfideCysteinylglycine disulfideME320722--2547-
cystineCystineME32072367678C004912000-
cytidineCytidineME3207246175C004752124-
cytosineCytosineME320725597C003802060-
decanoylcarnitine (C10)CAR 10:0ME32062510245190-1130-
deoxycarnitine3-DehydroxycarnitineME320726134C011812052-
dihomo-linolenoylcarnitine (C20:3n3 or 6)CAR 20:3ME320627--1392-
dihomo-linolenoyl-choline-ME320626--1424-
dihomo-linoleoylcarnitine (C20:2)CAR 20:2ME320628--1436-
dimethylarginine (SDMA + ADMA)DimethylarginineME320728123831C036262850-
dimethylglycineDimethylglycineME320729673C010261104-
dimethyl sulfoneDimethyl sulfoneME3207276213C11142832-
docosahexaenoylcholine-ME320629--1378-
doxycyclineDoxycyclineME320630--829-
ectoineEctoineME320730126041C062311980-
ergothioneineErgothioneineME3207313032311C05570850-
formiminoglutamateFormiminoglutamic acidME320732439233C004391880-
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME320733--2380-
gamma-glutamylalaninegamma-GlutamylalanineME320736440103-1986-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME32073465254-2784-
gamma-glutamylcitrulline-ME320737--1644-
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME3207357015685-2725-
gamma-glutamylglutamategamma-Glutamylglutamic acidME32073892865C052821775-
gamma-glutamylglutaminegamma-GlutamylglutamineME320739150914C052831430-
gamma-glutamylglycinegamma-GlutamylglycineME320740165527-1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME3207417017195-2740-
gamma-glutamylisoleucinegamma-GlutamylisoleucineME32074214253342-2940-
gamma-glutamylleucinegamma-GlutamylleucineME320743151023-2991-
gamma-glutamylmethioninegamma-GlutamylmethionineME3207447009567-2640-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME320745111299-2992-
gamma-glutamylserinegamma-Glu-SerME320746--1351-
gamma-glutamylthreoninegamma-GlutamylthreonineME32074776078708-1750-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME320631--2384-
glutamateGlutamic acidME320748611C000251500-
glutamineGlutamineME3207495961C000641291-
glutarylcarnitine (C5-DC)CAR DC5:0ME32075071464488-2393-
glycerol 3-phosphatesn-Glycero-3-phosphateME320751754C00093580-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME320752123874C01233659-
glycerophosphoinositolsn-Glycero-3-phosphoinositolME320753167572-516-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME32075471920C00670672-
glycerophosphoserinesn-Glycero-3-phosphoserineME3207553081457-577-
glycineGlycineME320756750C000371375-
glycodeoxycholateGlycodeoxycholic acidME3206323035026C054641302-
glycylvalineGly-ValME32075797417-2734-
guanidinoacetateGuanidoacetic acidME320758763C005811937-
guanosineGuanosineME3207596802C003871728-
hemeHemeME32063326945C000321124-
hexanoylcarnitine (C6)CAR 6:0ME3207606426853-3358-
histidine betaine (hercynine)HercynineME3207613083620-2094-
homoarginineHomoarginineME3207629085C019242882-
homostachydrine(S)-HomostachydrineME320763441447C082831750-
hydroxyasparagineHydroxyasparagineME32076597663C031241149-
hydroxy-N6,N6,N6-trimethyllysine-ME320764--2759-
hypotaurineHypotaurineME320766107812C00519724-
imidazole lactateImidazolelactic acidME320767440129C055682040-
imidazole propionateImidazole propanoateME32076870630-2263-
indoleacetylglutamineIndoleacetyl glutamineME32076925200879-2185-
indolin-2-oneIndolin-2-oneME320770321710C123122575-
isobutyrylcarnitine (C4)CAR 3:0;2MeME320771168379-2810-
isocitrateIsocitric acidME3207721198C00311773-
isoleucineIsoleucineME3207736306C004072800-
isovalerylcarnitine (C5)CAR 4:0;3MeME3207746426851-3085-
kynurenineKynurenineME320775161166C003282739-
lanthionineLanthionineME32077698504-1730-
laurylcarnitine (C12)CAR 12:0ME32063510427569-1235-
leucineLeucineME3207776106C001232864-
leucylalanineLeu-AlaME320778259321-2801-
leucylglycineLeu-GlyME32077979070-2778-
lignoceroylcarnitine (C24)CAR 24:0ME320636--1603-
linoleoylcarnitine (C18:2)CAR 18:2ME3206376450015-1430-
linoleoylcholinealpha-LinoleoylcholineME320638--1388-
L-urobilinL-UrobilinME3206345280818C05793901-
lysineLysineME3207805962C000472850-
methionineMethionineME3207816137C000732526-
methionine sulfoneMethionine sulfoneME32078269961-1250-
methionine sulfoxideMethionine sulfoxideME320783158980C029891272-
methyl indole-3-acetateIndole-3-methyl acetateME32078474706-3380-
methylphosphateMethanolphosphateME32078513130-544-
myristoleoylcarnitine (C14:1)CAR 14:1ME32063990659872-1316-
myristoylcarnitine (C14)CAR 14:0ME3206406426854-1350-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME32081369698C058421250-
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME320814440810C058431260-
N1-methyladenosine1-MethyladenosineME32081527476C024942120-
N1-methylinosine1-MethylinosineME32081665095-1430-
N1,N12-diacetylspermineN1,N12-DiacetylspermineME320812132680C034133105-
(N(1) + N(8))-acetylspermidineAsparagineME320660--3080-
N2-acetyl,N6-methyllysineN2-Acetyl,N6-methyllysineME320818--2168-
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME32081792919-2210-
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME320821123800-2500-
N6-methyladenosineN6-MethyladenosineME3208221869-2264-
N6-methyllysineN(6)-MethyllysineME320823164795C027282831-
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME320820193344C055452831-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME320819440120C037932825-
N-acetyl-1-methylhistidineN-Acetyl-3-methylhistidineME320789193270-2100-
N-acetylarginineN-AcetylarginineME32079167427C025622245-
N-acetylasparagineN-AcetylasparagineME32079299715-785-
N-acetylcitrullineN-AcetylcitrullineME320793656979C155321010-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME32079424139-715-
N-acetylglucosaminylasparagineAspartylglycosamineME320795123826C045401212-
N-acetylglutamateN-Acetylglutamic acidME32079670914C006241050-
N-acetylglutamineN-AcetylglutamineME320797182230C02716845-
N-acetylglycineN-AcetylglycineME32079810972-826-
N-acetylhistamineN-AcetylhistamineME32079969602C051352287-
N-acetylhistidineN-AcetylhistidineME32080075619C029972065-
N-acetyl-isoputreanineN-AcetylisoputreanineME320790--2305-
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME320801193368-880-
N-acetylneuraminateN-Acetylneuraminic acidME320802439197C00270660-
N-acetylprolineN-Acetyl-prolineME320803322640-1695-
N-acetylputrescineN-AcetylputrescineME320804122356C027142230-
N-acetyltryptophanN-Acetyl-tryptophanME320805700653C031372640-
N-alpha-acetylornithineN-AcetylornithineME320806439232C004372000-
N-carbamoylalanineN-CarbamoylalanineME320807426409-950-
nervonoylcarnitine (C24:1)CAR 24:1ME320641--1602-
nicotinamideNiacinamideME320824936C001531942-
N-methylhydroxyprolineN-Methyl-4-hydroxyprolineME320808--1145-
N-methylpipecolateN-methyl pipecolic acidME32080911286529-1932-
N-methylprolineN-Methyl-prolineME320810557-1335-
N-monomethylarginineTarginineME320811132862C038842845-
N,N-dimethyl-5-aminovalerateN,N-Dimethyl-5-aminovaleric acidME320788--2290-
N,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-5-aminovalerateME320786--2186-
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME320787--2470-
nonanoylcarnitine (C9)CAR 9:0ME320642--1003-
octadecanedioylcarnitine (C18-DC)CAR DC18:0ME320643--1227-
octadecenedioylcarnitine (C18:1-DC)CAR DC18:1ME320644--1180-
octanoylcarnitine (C8)CAR 8:0ME320645123701C02838950-
oleoylcarnitine (C18:1)CAR 18:1ME3206466441392-1423-
oleoylcholineOleoylcholineME320647--1449-
ornithineOrnithineME3208256262C000772800-
palmitoleoylcarnitine (C16:1)CAR 16:1ME32064871464547-1357-
palmitoylcarnitine (C16)CAR 16:0ME320649461C029901425-
palmitoylcholinePalmitoylcholineME320650151731-1482-
paraxanthineParaxanthineME3208264687C137471810-
phenylacetylcarnitine-ME320827101724840-3092-
phenylalaninePhenylalanineME3208286140C000792878-
phenylalanylglycinePhe-GlyME32082998207-2898-
phosphatePhosphoric acidME3208301061C00009576-
phosphoethanolaminePhosphoethanolamineME3208311015C00346700-
picolinatePicolinic acidME3208321018C10164910-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME320833--2773-
pipecolatePipecolic acidME320834849C004082200-
pro-hydroxy-proPro-hydroxyProME32083511673055-2128-
prolineProlineME320836145742C001481603-
prolylglycinePro-GlyME3208376426709-2136-
propionylcarnitine (C3)CAR 3:0ME320838107738C030172590-
pyroglutaminePyroglutamineME320839134508-1900-
quinolinateQuinolinic acidME3208401066C03722845-
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME32066153481617-2400-
retinol (Vitamin A)RetinolME320651445354C004731636-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME3208411196C043221528-
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME320662--2340-
S-allylcysteineS-AllylcysteineME32084298280-2690-
sarcosineSarcosineME3208461088C002131280-
S-carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME3208431080C037271490-
serineSerineME3208475951C000651239-
serotoninSerotoninME3208485202C007802550-
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME32084482142-900-
S-methylmethionineS-MethylmethionineME320845458C053192555-
spermidineSpermidineME3208491102C003153355-
sphingadienineSphingadienineME3206526449795-1350-
sphinganineSphinganineME3206533126C008361413-
sphinganine-1-phosphateSphinganine 1-phosphateME320654520-1431-
sphingosineSphingosineME3206555353955C003191393-
sphingosine 1-phosphateSphingosine 1-phosphateME3206565283560C061241375-
stachydrineStachydrineME320850115244C101721440-
stearoylcarnitine (C18)CAR 18:0ME3206576426855-1485-
stearoylcholineStearoylcholineME320658--1520-
succinylcarnitine (C4-DC)CAR DC4:0ME32085171464481-2291-
sulfamethoxazoleSulfamethoxazoleME3208525329D00285,C07315,D004472405-
taurineTaurineME3208531123C00245660-
theanineN(5)-Ethyl-glutamineME320854439378C010472180-
theobromineTheobromineME3208555429C074801600-
theophyllineTheophyllineME3208562153C071301870-
thioprolineThioprolineME32085793176-1250-
threonineThreonineME3208586288C001881514-
tiglylcarnitine (C5:1-DC)CAR DC5:1ME32085922833596-2962-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME3208605810C011571064-
trans-urocanateUrocanic acidME320861736715C007852285-
trigonelline (N'-methylnicotinate)TrigonellineME3208625570C010041388-
trimethylamine N-oxideTrimethylamine N-oxideME3208631145C011042100-
tryptophanTryptophanME3208646305C000782986-
tryptophan betaineLenticinME320865442106C092132673-
tyrosineTyrosineME3208666057C000822430-
ureaUreaME3208671176C00086700-
valineValineME3208686287C001832479-
ximenoylcarnitine (C26:1)CAR 26:1ME320659--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 acidME3208825312435-5555-
10-undecenoate (11:1n1)10-Hendecenoic acidME32088314891C139105085.8-
12,13-DiHOME12,13-DiHOMEME32088410236635C148295137-
1,2,3-benzenetriol sulfate (2)-ME320870--1709-
12-HETE12-HETEME3208855312983-5326-
12-HHTrE12S-HHTrEME3208865283141C203885175-
13-HODE + 9-HODEHODEME32088743013-5275-
14-HDoHE/17-HDoHE-ME320888--5296-
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME32087164960C07326802-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME320889--4240-
1,7-dimethylurate1,7-Dimethyluric acidME32087291611C163561578.6-
1-carboxyethylisoleucine1-CarboxyethylisoleucineME320873--2628-
1-carboxyethylleucine1-CarboxyethylleucineME320874--2663-
1-carboxyethylphenylalanine1-CarboxyethylphenylalanineME320875--2844-
1-carboxyethyltyrosine1-CarboxyethyltyrosineME320876--1846-
1-carboxyethylvaline1-CarboxyethylvalineME320877--2008-
1-hydroxy-2-naphthalenecarboxylate1-Hydroxy-2-naphthoateME3208786844C032033930-
1-linoleoyl-GPG (18:2)LPG 18:2/0:0ME320879--5516-
1-palmitoyl-GPG (16:0)LPG 16:0/0:0ME3208803300276-5570-
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME320881--5816-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME320912134595-3935-
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME320892301941-787-
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)2,3-Dihydroxy-5-methylthio-4-pentenoic acidME320893--1156-
(2,4 or 2,5)-dimethylphenol sulfate-ME320869--3474-
2,6-dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME3208949338-2575-
2-aminoadipatealpha-Aminoadipic acidME320895469C00956639.2-
2-aminophenol sulfate2-Aminophenyl sulfateME320896181670-1677-
2'-deoxyuridineDeoxyuridineME32089013712C005261586-
2-ethylphenylsulfate-ME320897--3416-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME320898164623-1800-
2-hydroxyacetaminophen sulfate2-Hydroxyacetaminophen sulfateME32089986290013-1674-
2-hydroxybehenate2-Hydroxy behenic acidME320900193484-6384-
2-hydroxydecanoate2-Hydroxycapric acidME32090121488-4840-
2-hydroxyfluorene sulfate-ME320902--4372-
2-hydroxynervonateHydroxynervonic acidME3209035312783-6345-
2-hydroxyoctanoate2-Hydroxyoctanoic acidME32090494180-3736.8-
2-hydroxypalmitate2-Hydroxypalmitic acidME32090592836-5511.2-
2-hydroxystearate2-Hydroxystearic acidME32090669417C030455695-
2-methoxyacetaminophen glucuronide2-Methoxyacetaminophen glucuronideME32090714367271-1633-
2-methoxyacetaminophen sulfate2-Methoxyacetaminophen sulfateME32090886290014-1949-
2-methoxyresorcinol sulfate-ME320909--1863-
2-methylcitrate/homocitrateHomocitric acidME320910--575-
2-naphthol sulfate2-Naphthyl sulfateME32091174428-3658-
2'-O-methyluridine2'-O-MethyluridineME320891102212-1831-
3-(3-amino-3-carboxypropyl)uridine3-(3-amino-3-carboxypropyl)uridineME320913171198-1369-
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME32091491C114571980-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME3209159378C036721379-
3-acetylphenol sulfate3-Acetylphenol sulfateME320918--2477-
3beta,7alpha-dihydroxy-5-cholestenoate3beta,7alpha-Dihydroxy-5-cholestenoic acidME3209383081084C173355275-
3beta-hydroxy-5-cholestenoateCholestenoic acidME320939165511C173335398-
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME32093792997-5205-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME320919194501-4000-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME320920123979-2800-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME320921188979-975-
3-hydroxydecanoate3-Hydroxydecanoic acidME32092226612-4634.7-
3-hydroxydodecanedioate3-Hydroxy-dodecanedioic acidME32092316663321-2252-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME320924151492-1725-
3-hydroxyhippurate3-Hydroxyhippuric acidME320925450268-1687-
3-hydroxylaurate3-Hydroxydodecanoic acidME32092694216-5175-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME32092726613-3446-
3-hydroxyoleate-ME320928--5508-
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME320929--1595.5-
3-indoxyl sulfateIndoxyl sulfateME32093010258-2222.2-
3-methoxycatechol sulfate (1)-ME320931--2163-
3-methoxytyramine sulfate3-Methoxytyramine sulfateME320932--1722-
3-methyl-2-oxobutyrateKetoisovaleric acidME32093449C001411465-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME32093547C006712064.2-
3-methyl catechol sulfate (1)-ME320933--2790-
3-(methylthio)acetaminophen sulfate-ME320916--2265-
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME32091783967-2094-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME320936107C056292860-
4-acetamidobutanoate4-Acetamidobutanoic acidME32094018189C02946894-
4-acetamidophenolAcetaminophenME3209411983C068042173.7-
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME32094283944-1400-
4-acetaminophen sulfateParacetamol sulfateME32094383939C068041792-
4-acetylphenol sulfate4-Acetylphenyl sulfateME3209444684006-2375-
4-allylphenol sulfate4-Allylphenol sulfateME320945--3805-
4-ethylphenylsulfate4-EthylphenolME320946-C136373580-
4-hydroxycoumarin4-HydroxycoumarinME32094754682930C204142470-
4-hydroxyhippurate4-Hydroxyhippuric acidME320948151012-1475-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME320949127C006421361-
4-hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME320950--1650-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME320951979C011791690-
4-methyl-2-oxopentanoateKetoleucineME32095270C002332170-
4-methylcatechol sulfate-ME320953--2665-
4-methylguaiacol sulfate-ME320954--2978-
4-vinylguaiacol sulfate4-Vinylguaiacol sulfateME320955--3354-
4-vinylphenol sulfate4-HydroxystyreneME3209566426766C056273320-
5,6-dihydrothymineDihydrothymineME32095793556C009061637.8-
5,6-dihydrouracilDihydrouracilME320958649C004291120-
5,6-dihydrouridine5,6-DihydrouridineME32095994312-1119-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME320966--3962-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME320967--5060-
5-dodecenoate (12:1n7)5-Dodecenoic acidME3209605312378-5224-
5-hydroxyhexanoate5-Hydroxycaproic acidME320961170748-1267-
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME3209631826C056351510.2-
5-hydroxyindole sulfate-ME320962--1928-
5-methyluridine (ribothymidine)RibothymidineME320964445408-1778.1-
5-oxoprolinePyroglutamic acidME3209657405C01879738.5-
6-bromotryptophan6-BromotryptophanME320968--3565-
6-hydroxyindole sulfate6-Hydroxyindole sulfateME320969--2498-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME3209703014237-965-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME3209713081085C173375288.1-
7-hydroxyindole sulfate-ME320972--1765-
8-hydroxyoctanoate8-Hydroxyoctanoic acidME32097369820-2300-
9,10-DiHOME9,10-DiHOMEME3209749966640C148285180-
acesulfameAcesulfameME32097536573-1581-
acisogaAcisogaME320976129397-2297-
aconitate [cis or trans]cis-Aconitic acidME320977--580-
adrenate (22:4n6)Adrenic acidME3209785497181C165275678-
alpha-hydroxycaproate2-Hydroxyhexanoic acidME32097999824-1920-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME32098083697C032641840-
amoxicillinAmoxicillinME3209812171C068272365-
androstenediol (3alpha, 17alpha) monosulfate (3)-ME320982--5180-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME32098387120982C042953740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME32098487120982C042954065-
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME320985159663-5022-
arachidate (20:0)Arachidic acidME32098610467C064256240-
arachidonate (20:4n6)Arachidonic acidME320987444899C002195535-
azelate (C9-DC)Azelaic acidME3209882266C082611276-
benzoateBenzoic acidME320989243C001801750-
beta-citrylglutamateBeta-Citryl-glutamic acidME32099072715786C20775530-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME32099169362-1027-
caprate (10:0)Capric acidME3209932969C015715090.7-
caproate (6:0)Caproic acidME3209948892C015852713.7-
caprylate (8:0)Caprylic acidME320995379C064234362-
catechol sulfateCatechol sulfateME3209963083879-1906-
C-glycosyltryptophanC-GlycosyltryptophanME32099210981970-1777-
cholateCholic acidME320997221493C006955165-
cinnamoylglycineCinnamoylglycineME320998709625-3127-
cis-4-decenoate (10:1n6)4Z-Decenoic acidME3209995312351-4890-
corticosteroneCorticosteroneME3210005753C021405040-
cortisolCortisolME3210015754C007354710-
cortisoneCortisoneME321002222786C007624575-
dehydroepiandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME32100312594C045554745-
diclofenacDiclofenacME321004-C016904903-
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME3210056439848C165255730-
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME3210065280581C032425596-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME3210075282807C165336034-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME321008445580C064295525-
docosapentaenoate (n3 DPA; 22:5n3)DPAME3210096441454C165135571-
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME3210106441454C165135624.5-
dodecadienoate (12:2)Dodecadienoic acidME321011--5146-
dodecanedioate (C12-DC)Dodecanedioic acidME32101212736C026782990-
dodecenedioate (C12:1-DC)Traumatic acidME321013--2700-
dopamine 3-O-sulfateDopamine 3-O-sulfateME321014122136C136901556.2-
dopamine 4-sulfateDopamine 4-sulfateME321015123932C136911511-
eicosanedioate (C20-DC)Eicosanedioic acidME32101675502-5200.9-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME321017446284C064285450-
eicosenedioate (C20:1-DC)-ME321018--5095-
eicosenoate (20:1)cis-Gondoic acidME3210195282768C165265950-
erucate (22:1n9)cis-Erucic acidME3210205281116C083166355.6-
eugenol sulfateEugenol sulfateME321021180632-3782-
Fibrinopeptide A (2-15)-ME321022--2120-
Fibrinopeptide A (3-15)-ME321023--2419-
Fibrinopeptide A (3-16)-ME321024--2786-
Fibrinopeptide A (4-15)-ME321025--2570-
Fibrinopeptide A (5-16)-ME321026--2850-
Fibrinopeptide A (7-16)-ME321027--3258-
Fibrinopeptide A (8-16)-ME321028--3944-
Fibrinopeptide A, des-ala(1)-ME321029--2535-
Fibrinopeptide B (1-11)-ME321030--2389-
Fibrinopeptide B (1-12)-ME321031--2366-
Fibrinopeptide B (1-13)-ME321032--2482-
gamma-CEHCgamma-CEHCME321033133098-3843-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME32103494340-1240-
gamma-glutamylvalinegamma-GlutamylvalineME3210357015683-1072-
glucuronide of C12H22O4 (1)-ME321037--2590-
glucuronide of C14H26O4 (1)-ME321038--3200-
glu-gly-asn-val-ME321036--1000-
glycerolGlycerolME321039753C00116758-
glyco-alpha-muricholate-ME321040--4734-
glyco-beta-muricholateGlyco-beta-muricholic acidME321041--4762-
glycochenodeoxycholateGlycochenodeoxycholic acidME32104212544C054665236.1-
glycochenodeoxycholate 3-sulfateGlycochenodeoxycholic acid 3-sulfateME321043--4820-
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME321044--4806-
glycocholateGlycocholic acidME32104510140C019215163-
glycocholenate sulfateGlycocholenate sulfateME321046--4750-
glycodeoxycholate 3-sulfateGlycodeoxycholic acid 3-sulfateME321047--4875-
glycohyocholateGlycohyocholic acidME321048--5020-
glycolithocholateGlycolithocholic acidME321049115245C155575357.1-
glycolithocholate sulfateSulfoglycolithocholic acidME32105072222C113015011-
glycoursodeoxycholateGlycoursodeoxycholic acidME32105112310288-5033-
guaiacol sulfateGuaiacol sulfateME32105222473-2344-
heneicosapentaenoate (21:5n3)Heneicosapentaenoic acidME32105311998573-5514-
heptanoate (7:0)Heptylic acidME3210548094C177143670-
hexadecadienoate (16:2n6)Hexadecadienoic acidME321055--5398-
hexadecanedioate (C16-DC)Hexadecanedioic acidME32105610459C196154615-
hexadecenedioate (C16:1-DC)-ME321057--4380-
hexanoylglutamineHexanoylglutamineME321058--2780-
hexanoylglycineHexanoylglycineME32105999463-2900-
hippurateHippuric acidME321060464C015862106.9-
histidineHistidineME3210616274C00135755.9-
homovanillate (HVA)Homovanillic acidME3210621738C055821649-
hydroquinone sulfateQuinol sulfateME321063161220C005301395-
hydroxy-CMPF-ME321064--1516-
hypoxanthineHypoxanthineME321065790C002621291.2-
indole-3-carboxylateIndole-3-carboxylic acidME32106669867C198371710-
indoleacetateIndoleacetic acidME321067802C009542200-
indolelactateIndolelactic acidME32106892904C020432286-
indolepropionate3-Indolepropionic acidME3210693744-2795-
indolepropionylglycineIndolepropionylglycineME3210707677842-2926-
inosineInosineME3210716021C002941602.1-
isobutyrylglycineIsobutyrylglycineME32107210855600-1420-
isoeugenol sulfate-ME321073--3893-
isoleucylglycineIle-GlyME321074342532-1992-
isoursodeoxycholateIsoursodeoxycholic acidME321075127601C176624809-
isovalerate (i5:0)Isovaleric acidME32107610430C082621564-
isovalerylglycineIsovalerylglycineME321077546304-1950-
kynurenateKynurenic acidME3210783845C017172224-
linoleate (18:2n6)Linoleic acidME3210795280450C015955535-
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME3210805280934C064265450-
lithocholate sulfate (1)Lithocholic acid sulfateME321081--4811-
malateMalic acidME321082525C00149615.6-
margarate (17:0)Margaric acidME32108310465-5731-
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME321085--2873-
methyl glucopyranoside (alpha + beta)Methyl glucoseME321084--1070-
methylnaphthyl sulfate (1)-ME321086--4117-
methylnaphthyl sulfate (2)-ME321087--4163-
metronidazoleMetronidazoleME3210884173D004092339-
myristate (14:0)Myristic acidME32108911005C064245440-
myristoleate (14:1n5)Myristoleic acidME3210905281119C083225346.9-
N-(2-furoyl)glycine2-FuroylglycineME32109121863-1525-
N2,N5-diacetylornithineN2,N5-DiacetylornithineME32111610398396-1367-
N4-acetyl-5-hydroxysulfamethoxazole-ME321117--1745-
N4-acetylcytidineN4-AcetylcytidineME321118107461-2040-
N4-acetylsulfamethoxazoleN-AcetylsulfamethoxazoleME32111965280C13061,D016012489-
N6-acetyllysineN6-AcetyllysineME32112092832C027271059-
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME321121161466-2164-
N6-succinyladenosineSuccinyladenosineME321122165243-940-
N-acetyl-2-aminooctanoateN-Acetyl-2-aminooctanoic acidME32109295555-3943-
N-acetylaspartate (NAA)N-Acetylaspartic acidME32109565065C01042620.5-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME3210935255C12270575.3-
N-acetyl-beta-alanineN-Acetyl-beta-alanineME32109476406C01073773-
N-acetylcarnosineN-AcetylcarnosineME3210969903482-1235-
N-acetylisoleucineN-AcetylisoleucineME3210972802421-2325-
N-acetylleucineN-AcetylleucineME32109870912C027102400-
N-acetylmethionineN-AcetylmethionineME321099448580C027121787-
N-acetylphenylalanineN-AcetylphenylalanineME32110074839C035192597-
N-acetyltaurineN-AcetyltaurineME321101159864-800-
N-acetylthreonineN-AcetylthreonineME321102152204-821.6-
N-acetyltyrosineN-AcetyltyrosineME32110368310-1680-
N-acetylvalineN-AcetylvalineME32110466789-1704-
N-delta-acetylornithineN(5)-Acetyl-ornithineME3211059920500-858-
N-formylanthranilic acidFormylanthranilic acidME321106101399C056532150-
N-formylmethionineN-FormylmethionineME321107439750C031451543.8-
N-formylphenylalanineN-FormylphenylalanineME321108759256-2360-
N-linoleoylserine-ME321109--5492-
N-linoleoyltaurineN-Linoleoyl taurineME321110--5505-
N-oleoylserineNASer 18:1(9Z)ME321111--5600-
nonadecanoate (19:0)Nonadecylic acidME32112312591C165356068-
N-palmitoylglycineN-Palmitoyl glycineME321112151008-5580-
N-palmitoylserineN-Palmitoyl serineME3211136453686-5557-
N-stearoylserineN-Stearoyl serineME321114--5777-
N-stearoyltaurineN-Stearoyl taurineME321115168274-5782-
o-cresol sulfateo-Cresol sulfateME32112411615528-2796-
octadecadienedioate (C18:2-DC)Octadecanedioic acidME321126--4676-
octadecanedioate (C18-DC)Octadecanedioic acidME32112770095-5043-
octadecenedioate (C18:1-DC)-ME321128--4875-
oleate/vaccenate (18:1)Oleic acidME321129--5655-
oleoyl ethanolamideOleoyl-EAME3211305283454-6450-
O-sulfo-L-tyrosineSulfotyrosineME321125514186-990-
oxalate (ethanedioate)Oxalic acidME321131971C00209603-
palmitate (16:0)Palmitic acidME321134985C002495618-
palmitoleate (16:1n7)Palmitoleic acidME321135445638C083625475-
pantothenatePantothenic acidME3211366613C008641498.7-
p-cresol glucuronideP-Cresol glucuronideME321132154035-2420-
p-cresol sulfatep-Cresol sulfateME3211334615423-2890-
perfluorooctanoate (PFOA)Perfluorooctanoic acidME3211379554-5130-
phenol glucuronidePhenyl glucuronideME32113887235-1800-
phenol sulfatePhenyl hydrogen sulfateME32113974426C021802156-
phenylacetatePhenyl acetateME321140999C070862150-
phenylacetylglutamateN-Phenylacetylglutamic acidME32114111579826-1630-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME32114292258C041482330-
phenyllactate (PLA)Phenyllactic acidME3211433848C056072208-
pregnenediol disulfate (C21H34O8S2)-ME321144--3868-
pregnenediol sulfate (C21H34O5S)Pregnenolone sulfateME321145--5000-
pregnenetriol disulfate-ME321146--3504-
pregnenetriol sulfate-ME321147--4749-
pregnenolone sulfatePregnenolone sulfateME321148105074-5100-
propionylglycinePropionylglycineME32114998681-960-
propyl 4-hydroxybenzoate sulfate-ME321150--3971-
pseudouridinePseudouridineME32115115047C020671100-
pyridoxate4-Pyridoxic acidME3211526723C008472185-
pyrralinePyrralineME321153122228-2304-
saccharinSaccharinME3211565143D010852000-
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME321154439155C000211832.4-
salicyluric glucuronideSalicyluric glucuronideME321157--1463-
S-methylcysteineMethylcysteineME32115524417-880-
stearate (18:0)Stearic acidME3211585281C015305872-
stearidonate (18:4n3)Stearidonic acidME3211595312508C163005395-
sucroseSucroseME3211605988C00089865-
sulfate-ME3211611118C00059616-
syringol sulfate-ME321162--2395-
tartronate (hydroxymalonate)Hydroxypropanedioic acidME32116345C02287610-
tauro-beta-muricholateTauro-beta-muricholic acidME321164168408-4774-
taurochenodeoxycholateTaurochenodeoxycholic acidME321165387316C054655250-
taurochenodeoxycholic acid 3-sulfateTaurochenodeoxycholic acid 3-sulfateME321166--4809-
taurocholateTaurocholic acidME3211676675C051225150-
taurocholenate sulfateTaurocholenate sulfateME321168--4750-
taurodeoxycholic acid 3-sulfateTaurodeoxycholic acid 3-sulfateME321169--4850-
taurohyocholateTaurohyocholic acidME321170--5000-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME321171440071C036425027-
tauroursodeoxycholateTauroursodeoxycholic acidME3211729848818-5025-
tetradecadienedioate (C14:2-DC)-ME321173--3148-
tetradecadienoate (14:2)Tetradecadienoic acidME3211745312409-5292-
tetradecanedioate (C14-DC)Tetradecanedioic acidME32117513185-3985-
tetrahydrocortisol sulfate (1)-ME321176--4276-
threonylphenylalanineThr-PheME3211774099799-2322-
thromboxane B2TXB2ME3211785283137C059634526-
thymol sulfate-ME321179-C099084410-
thyroxineThyroxineME3211805819C018294808-
tridecenedioate (C13:1-DC)-ME321181--3051-
tyramine O-sulfateTyramine-O-sulfateME321182153005-1565-
undecanedioate (C11-DC)Undecanedioic acidME32118315816-2440-
urateUric acidME3211841175C00366757.1-
uridineUridineME3211856029C002991457.6-
valerate (5:0)Valeric acidME3211867991C008031718-
valylglycineVal-GlyME321187136487-1506-
vanillactateVanillactic acidME321188160637-1625-
vanillylmandelate (VMA)Vanillylmandelic acidME3211891245C05584941-
xanthosineXanthosineME32119064959C017621075-


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 20:4/0:0ME321191--1393-
1H-indole-7-acetic acid1H-Indole-7-acetic acidME321196--922-
1-linoleoyl-GPA (18:2)LPA 18:2/0:0ME321192--1441-
1-methylurate1-Methyluric acidME32119369726C163591900-
1-oleoyl-GPA (18:1)LPA 18:1/0:0ME3211945497152-1433-
1-palmitoyl-GPA (16:0)LPA 16:0/0:0ME3211956419701C040361445-
2,2'-Methylenebis(6-tert-butyl-p-cresol)-ME3211978398-703-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME321198677C040391050-
2-hydroxyadipate2-Hydroxyadipic acidME321199193530C023603000-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME321200--1258-
2-hydroxyheptanoate2-Hydroxy enanthoic acidME3212012750949-925-
2-hydroxyhippurate (salicylurate)Salicyluric acidME32120210253C075881123.9-
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME32120311970C05852858.6-
2-isopropylmalate2-Isopropylmalic acidME32120477C025042605-
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME321205161227C002041900-
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME32120610964471-1660-
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME321207--2204-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME3212081662C037612850-
3-hydroxyadipate3-Hydroxy-adipic acidME321209151913-3131-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME321210441C010891444-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME32121187C060011619-
3-hydroxysebacate3-Hydroxysebacic acidME3212123017884-2411-
3-methyladipate3-Methyladipic acidME32121312292-2865-
3-methylglutaconate3E-Methylglutaconic acidME3212141551553-2700-
3-sulfo-L-alanineCysteic acidME32121572886C005062890-
allantoinAllantoinME321216204C023501672-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME32121799823-1052-
alpha-ketobutyrate3-Methyl pyruvic acidME32121858C00109940-
alpha-ketoglutaramate2-Keto-glutaramic acidME321219--1916-
alpha-ketoglutarate2-Oxoglutaric acidME32122051C000262700-
arabinoseArabinoseME32122166308C002161804.5-
arabitol/xylitolArabitolME3212226912C019041932.4-
arabonate/xylonateArabinonic acid/Xylonic acidME321223--2700-
dihydroorotate4,5-Dihydroorotic acidME321224648C003371910-
erythritolErythritolME321225222285C005031491-
erythronateErythronic acidME3212262781043-2186-
ethylmalonateEthylmalonic acidME32122711756-2785-
Fibrinopeptide B (1-9)-ME321228--4416-
fructoseFructoseME3212295984C000952065-
fumarateFumaric acidME321230444972C001223084-
galactonateGalactonic acidME321231128869C008803085-
gentisateGentisic acidME3212323469C00628905-
gluconateGluconic acidME32123310690C002572922-
glucoseGlucoseME32123479025C000312342-
glucuronateGlucuronic acidME321235444791C001913233.3-
glutarate (C5-DC)Glutaric acidME321236743C004892900-
glycerateGlyceric acidME321237752C002582070.4-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME321238439964C032742430-
gulonateGulonic acidME3212399794176C002572750-
heptenedioate (C7:1-DC)-ME321240--2816-
homocitrullineHomocitrullineME32124165072C024273006.8-
hydantoin-5-propionateHydantoin-5-propionic acidME321242782C055652080-
lactateLactic acidME321243612C001861468.8-
maleateMaleic acidME321244444266C013842640-
maltoseMaltoseME32124510991489C002083329.4-
mannitol/sorbitolSorbitolME3212465780C007942320-
mannonateMannonic acidME3212473246006-2736-
mannoseMannoseME32124818950C001592200-
methylmalonate (MMA)Methylmalonic acidME321249487C021703078.4-
methylsuccinateMethylsuccinic acidME32125010349-2800-
myo-inositolMyo-inositolME321251892C001373506.3-
N-acetylalanineN-AcetylalanineME32125288064C028471564.8-
N-acetylserineN-AcetylserineME32125365249-2000-
orotateOrotic acidME321254967C002951638.1-
orotidineOrotidineME32125592751-2250-
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME32125674483C18142662-
phenylpyruvatePhenylpyruvic acidME321257997C00166845-
pimelate (C7-DC)Pimelic acidME321258385C026562745-
pyruvatePyruvic acidME3212591060C000221083-
quinateQuinic acidME3212606508C002962432.9-
ribitolRibitolME3212616912C004741789.6-
ribonateRibonic acidME3212625460677C016852425-
riboseRiboseME3212635779C001211508.2-
ribulonate/xylulonate-ME321264--2350-
salicylateSalicylic acidME321265338C00805802-
sebacate (C10-DC)Sebacic acidME3212665192C082772147-
suberate (C8-DC)Suberic acidME32126710457C082782577.6-
succinateSuccinic acidME3212681110C000423149-
succinimideSuccinimideME32126911439C072732155-
threonateThreonic acidME321270151152C016202384-
uracilUracilME3212711174C001061089.7-
xanthineXanthineME3212721188C003852023-
xyloseXyloseME321273135191C001811727-


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