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Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
(N(1) + N(8))-acetylspermidineAsparagineME781654--3080-
1-aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME781655535C012342047-
1-methyladenine1-MethyladenineME78165678821C022162133-
1-methylguanidineMethylguanidineME78165710111C022942149-
1-methylhistamine1-MethylhistamineME7816583614C051273040-
1-methylhypoxanthine1-MethylhypoxanthineME78165970765-1530-
1-methylimidazoleacetateMethylimidazoleacetic acidME78166075810C058282064-
1-methylnicotinamide1-Methyl nicotinamideME78166110129985C029181940-
1-methylurate1-Methyluric acidME78166269726C163591461-
2'-deoxyadenosineDeoxyadenosineME78166313730C005592252-
2'-O-methylcytidine2'-O-MethylcytidineME781664150971-2411-
2,3-dihydroxypyridine2,3-DihydroxypyridineME78166528115-1420-
2-furoylcarnitine-ME781666--2672-
2-hydroxyglutarate2-Hydroxyglutaric acidME78166743C02630958-
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME7816686426901-3035-
2-methylmalonylcarnitine (C4-DC)CAR DC3:0;2MeME78166953481628-2440-
2-methylserine2-MethylserineME78167094309C021151652-
2-oxo-1-pyrrolidinepropionate2-Oxo-1-pyrrolidinepropionic acidME7816713146688-1600-
2-piperidinone2-PiperidinoneME78167212665-1675-
3-(cystein-S-yl)acetaminophen*3-(Cystein-S-yl)acetaminophenME7816735233914-2420-
3-aminoisobutyrate3-Aminoisobutanoic acidME78167464956C051452190-
3-hydroxyanthranilate3-Hydroxyanthranilic acidME78167586C006322407-
3-hydroxybutyrylcarnitine (1)CAR 4:0;3OHME78167653481617-2400-
3-hydroxybutyrylcarnitine (2)CAR 4:0;3OHME781677--2340-
3-hydroxykynurenineHydroxykynurenineME78167889C027942536-
3-hydroxyphenylacetatoylcarnitine-ME781679--2808-
3-methoxytyramine3-MethoxytyramineME7816801669C055872635-
3-methoxytyrosine3-MethoxytyrosineME7816811670-2555-
3-methylcrotonylglycine3-MethylcrotonylglycineME781682169485-1980-
3-methylcytidine3-MethylcytidineME781683159649-2176-
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME781684128145-2675-
3-phosphoglycerate3-Phosphoglyceric acidME781685724C00597590-
3-ureidopropionateUreidopropionic acidME781686111C02642875-
4-acetamidobutanoate4-Acetamidobutanoic acidME78168718189C029461350-
4-guanidinobutanoate4-Guanidinobutanoic acidME781688500C010352320-
4-hydroxyphenylacetatoylcarnitine-ME781689--2730-
4-hydroxypyridine4-PyridoneME78169012290-2308-
5,6-dihydrouracilDihydrouracilME781691649C00429779-
5-aminovalerate5-Aminopentanoic acidME781692138C004312220-
5-hydroxylysine5-HydroxylysineME7816931029C167412790-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME781694439176C001702752-
7,8-dihydroneopterin7,8-DihydroneopterinME78169565074C048741650-
7-methylguanine7-MethylguanineME78169611361C022422175-
7-methylguanosine7-MethylguanosineME781697-C206742214-
7-methylurate7-Methyluric acidME78169869160C163551321-
7-methylxanthine7-MethylxanthineME78169968374C163531350-
acetylcarnitine (C2)CAR 2:0ME7817001C025712282-
adenineAdenineME781701190C001472221-
adenosineAdenosineME78170260961C002122169-
adipoylcarnitine (C6-DC)CAR DC6:0ME78170371296139-2558-
alanineAlanineME7817045950C000411700-
allo-threonineAllothreonineME78170599289C055191424-
anthranilate2-Aminobenzoic acidME781706227C001082606-
argininate*Argininic acidME781707160437-2150-
arginineArginineME781708232C000622825-
argininosuccinateArgininosuccinic acidME781709828C034062745-
ascorbate (Vitamin C)Vitamin CME781710-C00072770-
asparagineAsparagineME7817116267C001521225-
aspartateAspartic acidME7817125960C000491165-
azeloylcarnitine (C9-DC)-ME781713--3149-
benzoylcarnitine*BenzoylcarnitineME781714--3041-
beta-alaninebeta-AlanineME781715239C000991905-
beta-guanidinopropanoate3-Guanidinopropanoic acidME78171667701C030652145-
betaineBetaineME781717247C007191064-
C-glycosyltryptophanC-GlycosyltryptophanME78171810981970-2700-
caffeineCaffeineME7817192519C074812106-
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME7817202572-2085-
carnitineCarnitineME78172110917C003181978-
carnosineCarnosineME781722439224C003862942-
cholineCholineME781723305C001141961-
choline phosphateCholine phosphateME7817241014C00588700-
cis-aconitatecis-Aconitic acidME781725643757C00417864-
cis-urocanateUrocanic acidME7817261549103-2406-
citrullineCitrullineME7817279750C003271520-
cotinineCotinineME781728854019-2213-
creatineCreatineME781729586C003001947-
creatinineCreatinineME781730588C007912055-
cystathionineCystathionineME781731439258C022912270-
cysteineCysteineME7817325862C000971488-
cysteinylglycineCys-GlyME781733439498C014192132-
cystineCystineME78173467678C004912000-
cytidineCytidineME7817356175C004752124-
cytosineCytosineME781736597C003802060-
deoxycarnitine3-DehydroxycarnitineME781737134C011812052-
dimethyl sulfoneDimethyl sulfoneME7817386213C11142832-
dimethyl sulfoxide (DMSO)-ME781739679C11143817-
dimethylarginine (SDMA + ADMA)DimethylarginineME781740123831C036262850-
dimethylglycineDimethylglycineME781741673C010261104-
dopamineDopamineME781742681C037582385-
ectoineEctoineME781743126041C062311980-
ethanolamineEthanolamineME781744700C001891935-
formiminoglutamateFormiminoglutamic acidME781745439233C004391880-
fucoseFucoseME78174619466C01018750-
gamma-carboxyglutamategamma-Carboxy-glutamic acidME78174740772-903-
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME7817487015685-2717-
gamma-glutamylglutaminegamma-GlutamylglutamineME781749150914C052831430-
gamma-glutamylglycinegamma-GlutamylglycineME781750165527-1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME7817517017195-2740-
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME78175214253342-2940-
gamma-glutamylleucinegamma-GlutamylleucineME781753151023-2991-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME781754111299-2992-
gamma-glutamylthreoninegamma-GlutamylthreonineME78175576078708-1750-
gamma-glutamylvalinegamma-GlutamylvalineME7817567015683-2700-
glutamateGlutamic acidME781757611C000251500-
glutamineGlutamineME7817585961C000641291-
glutarylcarnitine (C5-DC)CAR DC5:0ME78175971464488-2393-
glycerol 3-phosphatesn-Glycero-3-phosphateME781760754C00093580-
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME781761167572-516-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME78176271920C00670672-
glycerophosphoserine*sn-Glycero-3-phosphoserineME7817633081457-577-
glycineGlycineME781764750C000371375-
guanidinoacetateGuanidoacetic acidME781765763C005811937-
guanineGuanineME781766764C002422032-
hexanoylcarnitine (C6)CAR 6:0ME7817676426853-3308-
hippurateHippuric acidME781768464C015862116-
homoarginineHomoarginineME7817699085C019242882-
homostachydrine*(S)-HomostachydrineME781770441447C082831750-
hydroxycotininetrans-3-HydroxycotinineME78177110219774-2030-
hypoxanthineHypoxanthineME781772790C002621295-
imidazole lactateImidazolelactic acidME781773440129C055682040-
imidazole propionateImidazole propanoateME78177470630-2263-
indoleacetateIndoleacetic acidME781775802C009542850-
indolin-2-oneIndolin-2-oneME781776321710C123122575-
isobutyrylcarnitine (C4)CAR 3:0;2MeME781777168379-2810-
isocitrateIsocitric acidME7817781198C00311773-
isoleucineIsoleucineME7817796306C004072800-
isovalerylcarnitine (C5)CAR 4:0;3MeME7817806426851-3085-
isoxanthopterinIsoxanthopterinME78178110729C039751110-
kynurenateKynurenic acidME7817823845C017172385-
kynurenineKynurenineME781783161166C003282739-
lanthionineLanthionineME78178498504-1730-
leucineLeucineME7817856106C001232864-
levulinate (4-oxovalerate)Levulinic acidME78178611579-1433-
lysineLysineME7817875962C000472850-
m-tyraminem-TyramineME78178811492-2701-
methionineMethionineME7817896137C000732526-
methionine sulfoneMethionine sulfoneME78179069961-1250-
methionine sulfoxideMethionine sulfoxideME781791158980C029891272-
methyl indole-3-acetateIndole-3-methyl acetateME78179274706-3380-
methylsuccinoylcarnitine-ME781793--2589-
methylureaN-MethylureaME78179411719C16363807-
metronidazoleMetronidazoleME7817954173D004092046-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME7817965255C122701035-
N-acetyl-cadaverineN-AcetylcadaverineME781797189087-2385-
N-acetylalliinN-AcetylalliinME781798--1348-
N-acetylarginineN-AcetylarginineME78179967427C025622245-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME78180024139-715-
N-acetylglucosaminylasparagineAspartylglycosamineME781801123826C045401212-
N-acetylglutamateN-Acetylglutamic acidME78180270914C006241050-
N-acetylglutamineN-AcetylglutamineME781803182230C02716845-
N-acetylglycineN-AcetylglycineME78180410972-826-
N-acetylhistamineN-AcetylhistamineME78180569602C051352287-
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME781806193368-880-
N-acetylneuraminateN-Acetylneuraminic acidME781807439197C00270660-
N-acetylprolineN-Acetyl-prolineME781808322640-1695-
N-acetylputrescineN-AcetylputrescineME781809122356C027142230-
N-acetylthreonineN-AcetylthreonineME781810152204-1040-
N-alpha-acetylornithineN-AcetylornithineME781811439232C004372000-
N-methyl-GABA4-(Methylamino)butyric acidME78181270703C159872109-
N-methylleucine-ME7818132777993-2787-
N-methylprolineN-Methyl-prolineME781814557-1335-
N-trimethyl 5-aminovalerate-ME781815--2186-
N1,N12-diacetylspermineN1,N12-DiacetylspermineME781816132680C034133105-
N1-methyladenosine1-MethyladenosineME78181727476C024942120-
N1-methylguanosine1-MethylguanosineME78181896373-1980-
N2,N2-dimethylguanine-ME78181974047-2465-
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME78182092919-2210-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME781821440120C037932825-
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME781822161466-2008-
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME781823123800-2500-
N6-methyladenosineN6-MethyladenosineME7818241869-2264-
neopterinNeopterinME7818254455C059261370-
nicotinamideNiacinamideME781826936C001531942-
nicotinamide N-oxideNicotinamide N-oxideME78182772661-877-
nicotinamide ribosideNicotinamide ribosideME781828439924C031502040-
nicotinate ribonucleosideD-RibosylnicotinateME781829161234C058411536-
nicotineNicotineME78183089594C007452883-
O-desmethylvenlafaxineDesvenlafaxineME781831125017D077933253-
ornithineOrnithineME7818326262C000772800-
phenylacetylcarnitine-ME781833101724840-3092-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME78183492258C041482145-
phenylacetylhistidine-ME781835--2909-
phenylalaninePhenylalanineME7818366140C000792878-
phenylalanylglycinePhe-GlyME78183798207-2898-
phosphatePhosphoric acidME7818381061C00009576-
phosphoethanolaminePhosphoethanolamineME7818391015C00346700-
picolinatePicolinic acidME7818401018C10164910-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME781841--2773-
pipecolatePipecolic acidME781842849C004082200-
piperidinePiperidineME7818438082C017462500-
prolineProlineME781844145742C001481603-
prolylglycinePro-GlyME7818456426709-2136-
propionylcarnitine (C3)CAR 3:0ME781846107738C030172590-
pseudoephedrinePseudoephedrineME7818477028C027653041-
pterinPterinME78184873000C007151805-
putrescinePutrescineME7818491045C001343027-
pyridoxalPyridoxalME7818501050C002502343-
pyridoxaminePyridoxamineME7818511052C005342975-
pyroglutamine*PyroglutamineME781852134508-1900-
quinolinateQuinolinic acidME7818531066C03722845-
riboflavin (Vitamin B2)RiboflavinME781854493570C002552292-
S-adenosylmethionine (SAM)S-AdenosylmethionineME78185534756C000193002-
S-carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME7818561080C037271490-
S-methylcysteineMethylcysteineME78185724417-1955-
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME78185882142-900-
S-methylmethionineS-MethylmethionineME781859458C053192555-
sarcosineSarcosineME7818601088C002131280-
serineSerineME7818615951C000651239-
serotoninSerotoninME7818625202C007802550-
spermidineSpermidineME7818631102C003153355-
stachydrineStachydrineME781864115244C101721440-
suberoylcarnitine (C8-DC)CAR DC8:0ME781865--2964-
succinylcarnitine (C4-DC)CAR DC4:0ME78186671464481-2291-
succinylglutamine-ME781867--815-
sulforaphane-cysteineSulforaphane-cysteineME781868--2433-
theobromineTheobromineME7818695429C074801600-
thiamin (Vitamin B1)ThiamineME7818701130C003783050-
thioprolineThioprolineME78187193176-1250-
threonineThreonineME7818726288C001881514-
tigloylglycineTiglylglycineME7818736441567-1926-
tiglylcarnitine (C5:1-DC)CAR DC5:1ME78187422833596-2962-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME7818755810C011571064-
trans-aconitatetrans-Aconitic acidME781876444212C023411320-
trans-urocanateUrocanic acidME781877736715C007852285-
trigonelline (N'-methylnicotinate)TrigonellineME7818785570C010041388-
trimethylamine N-oxideTrimethylamine N-oxideME7818791145C011042100-
tryptamineTryptamineME7818801150C003983062-
tryptophanTryptophanME7818816305C000782986-
tryptophan betaineLenticinME781882442106C092132673-
tyramineTyramineME7818835610C004832540-
tyrosineTyrosineME7818846057C000822430-
ureaUreaME7818851176C00086700-
valineValineME7818866287C001832479-
valylleucineVal-LeuME781887352039-3138-
xanthineXanthineME7818881188C003851032-


Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME781889--2270-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME7818905287971-2160-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME7818916436017-2358-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME781892--2380-
2-aminooctanoate2-Aminocaprylic acidME78189369522-750-
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME781894--1135-
alpha-tocopherolalpha-TocopherolME78189514985C024772522-
azithromycinAzithromycinME7818962269C06838918-
cetirizineCetirizineME7818972678C077781052-
decanoylcarnitine (C10)CAR 10:0ME78189810245190-1130-
diphenhydramineDiphenhydramineME7818993100C06960911-
escitalopramEscitalopramME781900146570D07913908-
fexofenadineFexofenadineME7819013348C06999944-
L-urobilinL-UrobilinME7819025280818C05793901-
laurylcarnitine (C12)CAR 12:0ME78190310427569-1235-
myristoleoylcarnitine (C14:1)*CAR 14:1ME78190490659872-1316-
octanoylcarnitine (C8)CAR 8:0ME781905123701C02838950-
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME7819069939941-2168-


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,2,3-benzenetriol sulfate (1)Pyrogallol sulfateME781907--1453-
1,2,3-benzenetriol sulfate (2)Pyrogallol sulfateME781908--1709-
1,3,7-trimethylurate1,3,7-Trimethyluric acidME78190979437C163611985-
1,3-dimethylurate1,3-Dimethyluric acidME78191070346-1671.4-
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME78191164960C07326802-
1,6-anhydroglucoseGlucosanME7819122724705-919.7-
1,7-dimethylurate1,7-Dimethyluric acidME78191391611C163561578.6-
1-methyl-beta-carboline-3-carboxylic acid1-Methyl-beta-carboline-3-carboxylic acidME7819145406157-3190-
1-methylguanine1-MethylguanineME78191570315-1643-
1-methylhistidine1-MethylhistidineME78191692105C011521227-
1-methylxanthine1-MethylxanthineME78191780220C163581568.8-
11-ketoetiocholanolone glucuronide-ME781918--4280-
11-ketoetiocholanolone sulfate-ME781919--4420-
12-dehydrocholate12-Ketochenodeoxycholic acidME78192094235-4871-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME781921--4240-
17alpha-hydroxypregnanolone glucuronide-ME781922--5071.9-
2'-deoxyguanosineDeoxyguanosineME781923187790C003301751-
2'-O-methyluridine2'-O-MethyluridineME781924102212-1831-
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME781925301941-787-
2,4,6-trihydroxybenzoate2,4,6-Trihydroxybenzoic acidME78192666520-1574-
2,4-dihydroxyhydrocinnamate-ME78192796384-1759-
2,8-quinolinediolQuinoline-2,8-diolME78192897250C063423133-
2,8-quinolinediol sulfate2,8-Quinolinediol sulfateME781929--2612-
2-acetamidophenol sulfate2-Acetamidophenol sulfateME781930181671-2251-
2-acetolactate2-Acetolactic acidME78193122C009001300-
2-aminophenol sulfate2-Aminophenyl sulfateME781932181670-1677-
2-butenoylglycine2-ButenoylglycineME7819336303498-1380-
2-ethylphenylsulfate-ME781934--3416-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME781935164623-1800-
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME78193686290013-1674-
2-hydroxyhippurate (salicylurate)Salicyluric acidME78193710253C075882184-
2-hydroxyibuprofen2-HydroxyibuprofenME78193810443535-3462-
2-methoxyacetaminophen glucuronide*2-Methoxyacetaminophen glucuronideME78193914367271-1633-
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME78194086290014-1949-
2-methoxyresorcinol sulfate2-Methylpyrogallol sulfateME781941--1863-
2-methylbutyrylglycine2-MethylbutyrylglycineME781942193872-1884-
2-methylcitrate/homocitrateHomocitric acidME781943--575-
2-oxindole-3-acetate2-Oxindole-3-acetateME7819443080590-2076-
2-oxoarginine*2-OxoarginineME781945558C03771963-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME781946134595-3935-
3,4-dihydroxyphenylacetate3,4-Dihydroxybenzeneacetic acidME781947547C011611040-
3,4-dihydroxyphenylacetate sulfate3,4-Dihydroxyphenylacetate sulfateME781948193283-800-
3,4-methylene heptanoylglycine-ME781949--3818-
3,4-methyleneheptanoylcarnitine-ME781950--4096-
3,5-dihydroxybenzoic acid3,5-Dihydroxybenzoic acidME7819517424-785.4-
3,7-dimethylurate3,7-Dimethyluric acidME78195283126C163601418.2-
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME78195391C114571980-
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME781954187488-1294-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME7819559378C036721379-
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME78195683967-2094-
3-acetylphenol-ME7819578487-3400-
3-acetylphenol sulfate3-Acetylphenol sulfateME781958--2477-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME781959123979-2800-
3-hydroxycinnamatetrans-m-Coumaric acidME781960637541C126211960-
3-hydroxycinnamate sulfate3-Hydroxycinnamate sulfateME7819616443141-1338-
3-hydroxycotinine glucuronidetrans-3-Hydroxycotinine glucuronideME781962183115-1745-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME781963151492-1725-
3-hydroxyhippurate3-Hydroxyhippuric acidME781964450268-1687-
3-hydroxyindolin-2-one3-Hydroxyindolin-2-oneME7819656097C111302695-
3-hydroxyindolin-2-one sulfate3-Hydroxyindolin-2-one sulfateME781966--2082-
3-hydroxyphenylacetate sulfate-ME781967--969-
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME781968--1595.5-
3-indoxyl sulfateIndoxyl sulfateME78196910258-2222.2-
3-methoxycatechol sulfate (1)3-Methoxycatechol sulfateME781970--2163-
3-methoxycatechol sulfate (2)3-Methoxycatechol sulfateME781971--2200-
3-methoxytyramine sulfate3-Methoxytyramine sulfateME781972--1722-
3-methyl catechol sulfate (1)3-Methylcatechol sulfateME781973--2790-
3-methyl catechol sulfate (2)3-Methylcatechol sulfateME781974--2860-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME78197547C006712064.2-
3-methylhistidine3-MethylhistidineME78197664969C01152906.3-
3-methylurate*3-Methyluric acidME78197711804-1024-
3-methylxanthine3-MethylxanthineME78197870639C163571700-
3alpha,21-dihydroxy-5beta-pregnane-11,20-dione 21-...-ME781979--4732-
4'-hydroxypropiophenone sulfate-ME781980315296-3012-
4-acetamidobenzoate4-Acetamidobenzoic acidME78198119266D038361403-
4-acetamidophenolAcetaminophenME7819821983C068042173.7-
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME78198383944-1400-
4-acetaminophen sulfateParacetamol sulfateME78198483939C068041792-
4-acetylphenol sulfate4-Acetylphenyl sulfateME7819854684006-2375-
4-allylphenol sulfate4-Allylphenol sulfateME781986--3805-
4-aminophenol sulfate (2)-ME781987--1168-
4-ethylphenol glucuronide4-Ethylphenol glucuronideME781988--3167-
4-ethylphenylsulfate4-EthylphenolME781989-C136373580-
4-hydroxybenzoate4-Hydroxybenzoic acidME781990135C00156820-
4-hydroxycinnamate sulfate4-Hydroxycinnamate sulfateME7819916070438-1000-
4-hydroxycoumarin4-HydroxycoumarinME78199254682930C204142470-
4-hydroxyhippurate4-Hydroxyhippuric acidME781993151012-1475-
4-hydroxymandelate4-Hydroxymandelic acidME781994328C03198772.7-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME781995127C006421361-
4-hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME781996--1650-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME781997979C011791690-
4-methyl-2-oxopentanoateKetoleucineME78199870C002332170-
4-methylcatechol sulfate4-Methylcatechol 1-sulfateME781999--2665-
4-octenedioate-ME78200011805205-740-
4-vinylguaiacol sulfate4-Vinylguaiacol sulfateME782001--3354-
4-vinylphenol sulfate4-HydroxystyreneME7820026426766C056273320-
5,6-dihydrothymineDihydrothymineME78200393556C009061637.8-
5,6-dihydrouridine5,6-DihydrouridineME78200494312-1119-
5-bromotryptophan5-Bromo-tryptophanME78200596735-3525-
5-hydroxyhexanoate5-Hydroxycaproic acidME782006170748-1267-
5-hydroxyindole sulfate-ME782007--1928-
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME7820081826C056351510.2-
5-hydroxymethyl-2-furoic acidSumiki's acidME78200980642C20448962-
5-methyltetrahydrofolate (5MeTHF)5-Methyl-THFME782010146C004401820-
5-oxoprolinePyroglutamic acidME7820117405C01879738.5-
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME782012--4215-
5alpha-androstan-3beta,17beta-diol disulfate5alpha-Androstane-3beta,17beta-diol disulfateME782013242332C125253880-
5alpha-pregnan-3(alpha or beta),20beta-diol disulf...-ME7820145127902-4310-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME782015--3962-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME782016--5180-
6-hydroxyindole sulfate6-Hydroxyindole sulfateME782017--2498-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME7820183014237-965-
7-hydroxyindole sulfate-ME782019--1765-
7-ketodeoxycholate7-Ketodeoxycholic acidME782020188292-4821-
abscisateAbscisic acidME7820215280896C060823170-
acesulfameAcesulfameME78202236573-1581-
acetylsalicylateAspirinME7820232244D001092020-
acisogaAcisogaME782024129397-2297-
adenosine 3',5'-cyclic monophosphate (cAMP)3',5' cyclic AMPME7820256076C005751952.2-
alpha-CEHCalpha-CEHCME7820269943542-4045-
alpha-CEHC glucuronide*alpha-CEHC glucuronideME782027--2616-
alpha-CEHC sulfatealpha-CEHC sulfateME782028--3090-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME78202983697C032641840-
andro steroid monosulfate C19H28O6S (1)*-ME782030-C045553871-
androstenediol (3alpha, 17alpha) monosulfate (2)-ME782031--4712-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME78203287120982C042953740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME78203387120982C042954065-
androstenediol (3beta,17beta) monosulfate (1)-ME78203413847309-4535-
androsterone glucuronideAndrosterone 3-glucuronideME782035114833C111354953-
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME782036159663-5022-
anserineAnserineME782037112072C012621124.8-
azelate (C9-DC)Azelaic acidME7820382266C082611276-
benzoateBenzoic acidME782039243C001801750-
beta-citrylglutamateBeta-Citryl-glutamic acidME78204072715786C20775530-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME78204169362-1027-
biopterinBiopterinME782042445040C063131398-
carboxyibuprofenCarboxyibuprofenME78204310444113-1920-
catechol glucuronideCatechol glucuronideME78204475124209-1742-
catechol sulfateCatechol sulfateME7820453083879-1906-
chlorogenateChlorogenic acidME7820465315832-1732-
cholateCholic acidME782047221493C006955165-
cinnamoylglycineCinnamoylglycineME782048709625-3127-
citrateCitric acidME782049311C00158582-
cortisolCortisolME7820505754C007354710-
cortisol 21-glucuronide-ME782051--4246.5-
cortisoneCortisoneME782052222786C007624575-
coumaroylquinate (2)-ME782053--2345-
coumaroylquinate (4)-ME782054--1982-
coumaroylquinate (5)-ME782055--1934-
daidzeinDaidzeinME7820565281708C102083566-
daidzein sulfate (2)Daidzein sulfateME782057--3330-
dehydroascorbateDehydroascorbic acidME782058835C05422739.6-
dehydroepiandrosterone glucuronide-ME782059--4510-
dehydroisoandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME78206012594C045554745-
deoxycholateDeoxycholic acidME782061222528C044835294-
desmethylnaproxen sulfateDesmethylnaproxen sulfateME782062184679-2250-
diglycerolDiglycerolME78206342953-1078-
dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME7820641879C002681552.3-
dihydroferulic acidDihydroferulic acidME78206514340-1928-
dopamine 3-O-sulfateDopamine 3-O-sulfateME782066122136C136901556.2-
dopamine 4-sulfateDopamine 4-sulfateME782067123932C136911511-
enterolactoneEnterolactoneME78206810685477-4515-
epiandrosterone glucuronide-ME78206910298641-4642-
epiandrosterone sulfateEpiandrosteroneME7820709929317-4855-
equol glucuronideEquol glucuronideME782071--3215-
ethyl glucuronideEthyl glucuronideME782072152226-793-
etiocholanolone glucuronideAndrosterone 3-glucuronideME782073270605-4915-
eugenol sulfateEugenol sulfateME782074180632-3782-
ferulatetrans-Ferulic acidME782075445858C014941755-
ferulic acid 4-sulfateFerulic acid 4-sulfateME7820766305574-1200-
ferulylglycine (1)-ME782077--2239-
ferulylglycine (2)-ME782078--2172-
fucitolFucitolME7820793429-816.1-
furaneol sulfateFuraneol sulfateME782080--1900-
galactosylglycerol*GalactosylglycerolME78208116048618C05401795-
gamma-CEHCgamma-CEHCME782082133098-3843-
gamma-CEHC glucuronide*gamma-CEHC glucuronideME782083--2500-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME78208494340-1240-
gentisateGentisic acidME7820853469C006281459.8-
gentisic acid-5-glucosideGentisic acid 5-glucosideME78208610914066-1434-
glycochenodeoxycholateGlycochenodeoxycholic acidME78208712544C054665236.1-
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME782088--4806-
glycochenodeoxycholate sulfate-ME782089--4820-
glycocholateGlycocholic acidME78209010140C019215163-
glycocholate glucuronide (1)Glycocholic acid glucuronideME782091--4533-
glycocholenate sulfate*Glycocholenate sulfateME782092--4750-
glycodeoxycholateGlycodeoxycholic acidME7820933035026C054645281-
glycodeoxycholate sulfateGlycodeoxycholate sulfateME782094--4875-
glycohyocholateGlycohyocholic acidME782095--5020-
glycolithocholate sulfate*Sulfoglycolithocholic acidME78209672222C113015011-
glycoursodeoxycholateGlycoursodeoxycholic acidME78209712310288-5033-
guanosineGuanosineME7820986802C003871662-
guanosine-3',5'-cyclic monophosphate (cGMP)3',5' cyclic GMPME78209924316C009421593-
heptanoylglutamineNA-Gln 7:0ME782100--3526-
hexanoylglutamineNA-Gln 6:0ME782101--2780-
hexanoylglycineNA-Gly 6:0ME78210299463-2900-
histidineHistidineME7821036274C00135755.9-
homocarnosineHomocarnosineME78210410243361C00884820-
homocitrullineHomocitrullineME78210565072C02427789-
homovanillate (HVA)Homovanillic acidME7821061738C055821649-
homovanillate sulfateHomovanillic acidME78210729981063-1047-
hydantoin-5-propionic acidHydantoin-5-propionic acidME782108782C05565767-
hydrochlorothiazideHydrochlorothiazideME7821093639C070412046-
hydroquinone sulfateQuinol sulfateME782110161220C005301395-
I-urobilinogenMesobilirubinogenME78211126818C057904190-
ibuprofenIbuprofenME7821123672D001264925-
ibuprofen acyl glucuronide-ME782113163959-4855-
indole-3-carboxylic acidIndole-3-carboxylic acidME78211469867C198371710-
indoleacetylglutamineIndoleacetyl glutamineME78211525200879-2535-
indoleacetylglycineN-IndoleacetylglycineME782116446640-2610-
indolelactateIndolelactic acidME78211792904C020432286-
indolepropionylglycineIndolepropionylglycineME7821187677842-2926-
inosineInosineME7821196021C002941602.1-
isobutyrylglycineIsobutyrylglycineME78212010855600-1420-
isocaproylglutamine-ME782121--2720-
isocaproylglycineIsocaproylglycineME782122--2820-
isoeugenol sulfateIsoeugenol sulfateME782123--3893-
isovalerylglutamine-ME782124--1956-
isovalerylglycineIsovalerylglycineME782125546304-1950-
lisinoprilLisinoprilME7821263937-2617-
malateD-Malic acidME782127525C00149615.6-
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME782128--2873-
mevalonateMevalonic acidME782129439230C02104860-
N,O-didesmethylvenlafaxine glucuronideN,O-Didesmethylvenlafaxine-glucuronideME782130--2639-
N-(2-furoyl)glycine2-FuroylglycineME78213121863-1525-
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME782132193270-1478-
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME782133193270-1360-
N-acetyl-beta-alanineN-Acetyl-beta-alanineME78213476406C01073773-
N-acetyl-S-allyl-L-cysteine-ME782135152467-2237-
N-acetylalanineN-AcetylalanineME78213688064C02847861.2-
N-acetylasparagineN-AcetylasparagineME78213799715-718-
N-acetylaspartate (NAA)N-Acetylaspartic acidME78213865065C01042620.5-
N-acetylcarnosineN-AcetylcarnosineME7821399903482-1235-
N-acetylcitrullineN-AcetylcitrullineME782140656979C15532940-
N-acetylcysteineN-AcetylcysteineME78214112035C068091108-
N-acetylhistidineN-AcetylhistidineME78214275619C02997900-
N-acetylisoleucineN-AcetylisoleucineME7821432802421-2325-
N-acetylkynurenine (2)N-AcetylkynurenineME782144--2378-
N-acetylleucineN-AcetylleucineME78214570912C027102400-
N-acetylmethionineN-AcetylmethionineME782146448580C027121787-
N-acetylphenylalanineN-AcetylphenylalanineME78214774839C035192597-
N-acetylpyrralineDehydroepiandrosteroneME782148--2545-
N-acetyltaurineN-AcetyltaurineME782149159864-800-
N-acetyltryptophanN-Acetyl-tryptophanME782150700653C031372630-
N-acetyltyrosineN-AcetyltyrosineME78215168310-1680-
N-acetylvalineN-AcetylvalineME78215266789-1704-
N-delta-acetylornithineN(5)-Acetyl-ornithineME7821539920500-858-
N-formylanthranilic acidFormylanthranilic acidME782154101399C056532150-
N-formylmethionineN-FormylmethionineME782155439750C031451543.8-
N-methylhydantoinN-MethylhydantoinME78215669217C025651425-
N-methylpipecolateN-methyl pipecolic acidME78215711286529-1117-
N-octanoylglutamineNA-Gln 8:0ME782158--4164-
N-octanoylglycineNA-Gly 8:0ME78215984290-4335.4-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME78216069698C058421668-
N1-methylinosine1-MethylinosineME78216165095-1874-
N2,N5-diacetylornithineN2,N5-DiacetylornithineME78216210398396-1367-
N2,N6-diacetyllysineN,N'-Diacetyl-lysineME78216391827-1604-
N2-methylguanosine2-MethylguanosineME7821643035422-1988-
N3-methyluridineN-3-MethyluridineME78216599592-1944-
N4-acetylcytidineN4-AcetylcytidineME782166107461-2040-
N6-succinyladenosineSuccinyladenosineME782167165243-940-
naringenin 7-glucuronideNaringenin 7-glucuronideME782168--3144-
o-cresol sulfateo-Cresol sulfateME78216911615528-2796-
O-methylcatechol sulfate-ME78217022473-2344-
O-sulfo-L-tyrosineSulfotyrosineME782171514186-990-
oxalate (ethanedioate)Oxalic acidME782172971C00209603-
p-cresol sulfatep-Cresol sulfateME7821734615423-2890-
p-cresol-glucuronide*P-Cresol glucuronideME782174154035-2420-
pantothenatePantothenic acidME7821756613C008641498.7-
paraxanthineParaxanthineME7821764687C137472279-
phenol sulfatePhenyl hydrogen sulfateME78217774426C021802156-
phenylacetylalaninePhenylacetylalanineME782178564251-2684-
phenylacetylglycinePhenylacetylglycineME78217968144C055982375-
phenylacetylmethioninePhenylacetylmethionineME782180--3620-
phenylacetylphenylalanineN-PhenylacetylphenylalanineME78218147583-4260-
phenylacetylserineN-PhenylacetylserineME782182--2195-
phenylacetylthreonine-ME782183--2580-
phenyllactate (PLA)Phenyllactic acidME7821843848C056072208-
phenylpropionylglycinePhenylpropionylglycineME782185152323-2945-
pregn steroid monosulfate C21H34O5S*-ME782186--5000-
pregnanediol-3-glucuronidePregnanediol-3-glucuronideME782187123796-5145-
pregnen-diol disulfate C21H34O8S2*-ME782188--3868-
pro-hydroxy-proPro-hydroxyProME78218911673055-783-
propyl 4-hydroxybenzoate sulfatePropylparaben sulfateME782190--3971-
pseudouridinePseudouridineME78219115047C020671100-
pyridoxate4-Pyridoxic acidME7821926723C008472185-
pyrralinePyrralineME782193122228-2304-
S-(3-hydroxypropyl)mercapturic acid (HPMA)N-Acetyl-S-(3-hydroxypropyl)-cysteineME7821943371179-1576-
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME782195439155C000211832.4-
saccharinSaccharinME7821965143D010852000-
salicyluric glucuronide*Salicyluric glucuronideME782197--1463-
sebacate (C10-DC)Sebacic acidME7821985192C082771788-
succinimideSuccinimideME78219911439C072731270-
sucraloseSucraloseME78220071485C122853140-
sulfate*SulfateME7822011118C00059616-
syringol sulfateSyringol sulfateME782202--2395-
tartarateTartaric acidME782203444305C00898615.3-
taurineTaurineME7822041123C00245690-
tauro-beta-muricholateTauro-beta-muricholic acidME782205168408-4774-
taurocholenate sulfateTaurocholenate sulfateME782206--4750-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME782207440071C036425027-
tetrahydrocortisoneTetrahydrocortisoneME7822085866C054705121-
theophyllineTheophyllineME7822092153C071302356.9-
thymineThymineME7822101135C001781654-
thymol sulfateThymol sulfateME782211-C099084410-
trans-2-hexenoylglycine-ME782212--2707-
trihydroxybutane1,2,3-ButanetriolME78221320497-925-
tyramine O-sulfateTyramine-O-sulfateME782214153005-1565-
umbelliferone sulfateUmbelliferone sulfateME782215129659-2440-
uracilUracilME7822161174C001061086-
urateUric acidME7822171175C00366757.1-
uridineUridineME7822186029C002991457.6-
Urolithin AUrolithin AME7822195488186-4107-
ursocholateUrsocholic acidME782220--4648-
vanillactateVanillactic acidME782221160637-1625-
vanillateVanillic acidME7822228468C066721100-
vanillic alcohol sulfateVanillyl alcohol 4-sulfateME782223--1808-
vanillylmandelate (VMA)Vanillylmandelic acidME7822241245C05584941-
xanthosineXanthosineME78222564959C017621075-
xanthurenateXanthurenic acidME7822265699C024701476-


Analysis: HILIC NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME782227677C040391050-
2,3-dimethylsuccinate-ME78222811848-2800-
2-aminoadipatealpha-Aminoadipic acidME782229469C009563500-
2-hydroxyadipate2-Hydroxyadipic acidME782230193530C023603000-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME782231--1258-
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME78223211970C05852858.6-
2-isopropylmalate2-Isopropylmalic acidME78223377C025042605-
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME782234161227C002041900-
2-oxoadipateOxoadipic acidME78223571C003222633.1-
3'-a-sialyl-N-acetyllactosamine-ME782236--3300-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME782237188979-1443.3-
3-hydroxy-2-methylbutyrate-ME782238160471-1352-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME7822391662C037612850-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME782240441C010891444-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME78224187C060011619-
3-hydroxyphenylacetate3-Hydroxyphenylacetic acidME78224212122C055931220-
3-hydroxypropanoateHydroxypropionic acidME78224368152C010131845-
3-hydroxysebacate3-Hydroxysebacic acidME7822443017884-2411-
3-methyl-2-oxobutyrateKetoisovaleric acidME78224549C00141911-
3-methyladipate3-Methyladipic acidME78224612292-2865-
3-methylglutaconate3E-Methylglutaconic acidME7822471551553-2700-
3-methylglutarate/2-methylglutarateMethylglutaric acidME782248--2832-
3-sialyllactose-ME782249123914-3720-
4-imidazoleacetateImidazoleacetic acidME78225096215C028352236-
4-ureidobutyrate4-Ureidobutyric acidME7822511571307-2217.5-
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME782252--5477-
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME78225388299C163661710-
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME782254108214C163651424-
6-sialyl-N-acetyllactosamine-ME78225516212424-3641-
adipate (C6-DC)Adipic acidME782256196C061043000-
allantoic acidAllantoic acidME782257203C004992960-
allantoinAllantoinME782258204C023501672-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME78225999823-1052-
alpha-ketoglutarate2-Oxoglutaric acidME78226051C000262700-
arabinoseArabinoseME78226166308C002161804.5-
arabitol/xylitolArabitolME7822626912C019041932.4-
arabonate/xylonateArabinonic acid/Xylonic acidME782263--2700-
caffeic acid sulfateCaffeic acid sulfateME782264--1307-
chiro-inositol1D-chiro-InositolME782265-C198913191.2-
citraconate/glutaconateCitraconic acid/Glutaconic acidME782266--2600-
cysteine s-sulfateCysteine-S-sulfateME782267115015C058242273-
dihydroorotate4,5-Dihydroorotic acidME782268648C003371910-
dimethylmalonic acidDimethylmalonic acidME78226911686-2702-
erythritolErythritolME782270222285C005031491-
erythronate*Erythronic acidME7822712781043-2186-
ethylmalonateEthylmalonic acidME78227211756-2785-
fructoseFructoseME7822735984C000952065-
fumarateFumaric acidME782274444972C001223084-
galactonateGalactonic acidME782275128869C008803085-
galacturonateGalacturonic acidME78227684740C083483527.2-
glucarate (saccharate)Glucaric acidME78227733037C008183850-
gluconateGluconic acidME78227810690C002572922-
glucoseGlucoseME78227979025C000312342-
glucuronateGlucuronic acidME782280444791C001913233.3-
glutarate (C5-DC)Glutaric acidME782281743C004892900-
glycerateGlyceric acidME782282752C002582070.4-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME782283123874C012333075-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME782284439964C032742430-
glycolate (hydroxyacetate)Glycolic acidME782285757C001601790.4-
guanidinosuccinateGuanidinosuccinic acidME78228697856C031393550-
gulonate*Gulonic acidME7822879794176C002572750-
hypotaurineHypotaurineME782288107812C005192763.4-
isocitric lactoneIsocitric acid lactoneME78228998259-2970-
lactateLactic acidME782290612C001861468.8-
lactoseLactoseME78229184571C002433500-
maleateMaleic acidME782292444266C013842640-
malonateMalonic acidME782293867C003833447-
mandelateMandelic acidME7822941292C01984922-
mannitol/sorbitolSorbitolME7822955780C007942320-
mannoseMannoseME78229618950C001592200-
mesaconate (methylfumarate)Mesaconic acidME782297638129C017323000-
methylmalonate (MMA)Methylmalonic acidME782298487C021703078.4-
methylsuccinateMethylsuccinic acidME78229910349-2800-
myo-inositolMyo-inositolME782300892C001373506.3-
N-acetylserineN-AcetylserineME78230165249-2000-
N-carbamoylalanineN-CarbamoylalanineME782302426409-2022-
N-carbamoylaspartateN-Carbamoylaspartic acidME78230393072C004383800-
N-methyltaurineN-MethyltaurineME7823047882-1650-
N2-acetyllysineN(2)-AcetyllysineME78230592907C129893372.6-
N6-acetyllysineN6-AcetyllysineME78230692832C027272612.6-
orotateOrotic acidME782307967C002951638.1-
orotidineOrotidineME78230892751-2250-
phenylacetylglutamateN-Phenylacetylglutamic acidME78230911579826-2325-
pimelate (C7-DC)Pimelic acidME782310385C026562745-
pyruvatePyruvic acidME7823111060C000221083-
quinateQuinic acidME7823126508C002962432.9-
ribitolRibitolME7823136912C004741789.6-
ribonateRibonic acidME7823145460677C016852425-
ribulonate/xylulonate*-ME782315--2350-
salicylateSalicylic acidME782316338C00805802-
scyllo-inositolMyo-inositolME782317892C061533468-
sedoheptuloseGlucoheptuloseME7823185459879-2255-
suberate (C8-DC)Suberic acidME78231910457C082782577.6-
succinateSuccinic acidME7823201110C000423149-
sucroseSucroseME7823215988C000893092-
threonateThreonic acidME782322151152C016202384-
tricarballylate1,2,3-Propanetricarboxylic acidME78232314925C198064200-
xyloseXyloseME782324135191C001811727-


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