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Analysis: MS positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-FormyltetrahydrofolateN10-Formyl-THFME017780122347C002348.16965-
1,2,3-Trihydroxybenzene1,2,3-TrihydroxybenzeneME0177771057C011080.6406975-
1,2-Dihydroxy-3-keto-5-methylthiopentene1,2-Dihydroxy-3-keto-5-methylthiopenteneME0177785462190C156065.033175-
1,7-Dimethylguanosine1,7-DimethylguanosineME017779160130-0.8513975-
1-Aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME017781535C012340.60757875-
1-Cyano-2-hydroxy-3-butene1-Cyano-2-hydroxy-3-buteneME01778291586-0.63845-
1H-Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME01778310256C084934.6614-
1-Methylguanosine1-MethylguanosineME01778496373C045453.8673125-
1-Methylhistidine1-MethylhistidineME01778592105C011520.5782775-
1-Methylinosine1-MethylinosineME01778665095-3.8522-
(-)-1-Methylpropyl 1-propenyl disulfide1-Methylpropyl 1-propenyl disulfideME017769--2.413625-
1-Pyrroline1-PyrrolineME01778711966285C156680.4962375-
1-Pyrroline-2-carboxylic acid1-Pyrroline-2-carboxylic acidME017788440046C035640.668784-
(+)-2,3-Dihydro-3-methyl-1H-pyrrole-ME017771--0.5510375-
2,6 Dimethylheptanoyl carnitineCAR(7:0(2Me,6Me))ME01778953477823-9.656425-
2-Aminobenzoic acid2-Aminobenzoic acidME017790227C001080.6496125-
2-Aminomuconic acid2-Aminomuconic acidME01779128C022201.0211625-
2-Aminonaphthalene2-AminonaphthaleneME0177927057C022274.664-
2-Benzoxazolol2-BenzoxazololME0177936043-3.985933333-
2-Furancarboxaldehyde2-FurancarboxaldehydeME01779457445953C142790.63648125-
2-Furanmethanethiol2-FuranmethanethiolME0177957363-2.7565-
2-Hydroxyadipic acid2-Hydroxyadipic acidME017796193530C023600.64293375-
2-Hydroxyfelbamate2-HydroxyfelbamateME01779710400039C165820.832093333-
2-Keto-6-acetamidocaproate2-Keto-6-acetamidocaproic acidME017798194080C055480.907681667-
2-Keto-glutaramic acid2-Keto-glutaramic acidME01779948C009401.3807-
2-MethylbutyroylcarnitineCAR(4:0(2Me))ME0178006426901-5.7604125-
(±)-2-Methylthiazolidine2-MethylthiazolidineME01777232196-1.003904-
2-OctenoylcarnitineCAR 8:1(2)ME01780153481667-8.9409-
2-Oxoarginine2-OxoarginineME017802558C037710.794622-
2-Phenylacetamide2-PhenylacetamideME0178037680C025051.5733-
2-Pyrrolidinone2-PyrrolidinoneME01780412025C111180.623825-
(2R)-2-Hydroxy-2-methylbutanenitrile2-Hydroxy-2-methylbutanenitrileME01777312650900C187960.67882-
2-Undecyl-4(1H)-quinolinone2-Undecyl-4(1H)-quinolinoneME01780510063343-9.675425-
3,3'-Thiobispropanoic acid3,3'-Thiobispropanoic acidME0178068096-0.6272-
3,4-Methylenedioxyamphetamine3,4-MethylenedioxyamphetamineME0178071614C075775.521057143-
3-Amino-2-piperidone3-Amino-2-piperidoneME0178085200225-0.643991429-
3-Dehydrocarnitine3-DehydrocarnitineME0178096991982C026360.93081-
3-Dehydroxycarnitine3-DehydroxycarnitineME017810725C055430.680226667-
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acidME01781112313370-5.87935-
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME01781286C006323.985233333-
3-Hydroxydodecanedioic acid3-Hydroxy-dodecanedioic acidME01781316663321-5.8508375-
3-Hydroxysebacic acid3-Hydroxysebacic acidME017814553954-4.237833333-
3-Methyladenine3-MethyladenineME0178161673C009130.89769-
3-Methylguanine3-MethylguanineME01781776292C022301.3330125-
3-Methyl sulfolene-ME017815--0.998845-
4a-Carbinolamine tetrahydrobiopterin4a-Carbinolamine tetrahydrobiopterinME017818133246C002681.60636-
4-Amino-1-piperidinecarboxylic acid4-Amino-1-piperidinecarboxylic acidME017819445262C168371.41218-
4-Aminobutyraldehyde4-AminobutyraldehydeME017820118C005550.6524-
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME017821500C010350.9697425-
4-Hydroxy-2-butenoic acid gamma-lactone4-Hydroxy-2-butenoic acid gamma-lactoneME01782210341C176010.64082125-
4-Hydroxybutyric acid4-Hydroxybutyric acidME01782310413C009891.6348-
4-Hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME017824440731C055954.486225-
5-Aminolevulinic acid5-Amino-levulinic acidME017825137C004300.59429875-
5-Aminopentanal5-AminopentanalME017826443849C124550.903006667-
5-Aminopentanamide5-AminopentanamideME017827439358C009900.6740975-
5-Hydroxy-2-furoic acid5-Hydroxy-2-furoic acidME0178284161539-1.052528571-
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME0178291826C056353.164066667-
5-Hydroxyisourate5-Hydroxyisouric acidME017830250388C118211.09995-
5-Hydroxytryptophol5-HydroxytryptopholME0178319061-3.84092-
5-L-Glutamyl-L-alaninegamma-GlutamylalanineME017832440103C037400.7763475-
5-Methylcytidine5-MethylcytidineME01783392918-2.348925-
5-Methylcytosine5-MethylcytosineME01783465040C023760.74355-
5'-Methylthioadenosine5'-MethylthioadenosineME017835439176C001700.62981-
6-Acetyl-1,2,3,4-tetrahydropyridine6-Acetyl-1,2,3,4-tetrahydropyridineME017836520194-0.9210625-
7-Aminomethyl-7-carbaguanine7-Aminomethyl-7-carbaguanineME017837171C166753.45935-
8-Hydroxy-7-methylguanine8-Hydroxy-7-methylguanineME017838308075-1.258666667-
8-Hydroxyguanine8-HydroxyguanineME01783965154C201550.8715-
AcetylisoniazidAcetylisoniazidME01784071602C075850.707722-
AdenineAdenineME017841190C001470.95626125-
AdenosineAdenosineME01784260961C002122.526275-
Adenosine monophosphateAMPME0178436083C000200.9447325-
AgmatineAgmatineME017844199C001790.571702-
Alanyl-IsoleucineAla-IleME017845--1.057-
Alanyl-ProlineAla-ProME017846--0.680633333-
Allantoic acidAllantoic acidME017847203C004990.60807125-
AllantoinAllantoinME017848204C015510.6342275-
AllocystathionineAllocystathionineME01784910104953C005420.577195-
AllysineAllysineME017850207C014750.6981025-
Alpha-N-Phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME01785192258C041485.59875-
Aminoadipic acidAminoadipic acidME017852469C009560.68007125-
Arachidonic acidArachidonic acidME017853444899C0021912.6529-
Ascorbic acidVitamin CME01785454670067C000720.806483333-
ascr1-ME017855--7.114366667-
ascr4-ME017856--5.70285-
ascr6-ME017857--5.7597875-
Asparaginyl-GlutamateAsn-GluME017858--1.1574-
Benzoic acidBenzoic acidME017859243C001801.56735-
beta-D-Glucopyranosyl anthranilate-ME017860--5.005925-
BiotinBiotinME017861171548C001206.213925-
ButyrylcarnitineCAR(4:0)ME017862213144C028624.202-
CadaverineCadaverineME017863273C016720.538361429-
Carglumic acidCarglumic acidME017864121396C058290.60559-
CascarillinCascarillinME017865442011C090718.2186-
CinitaprideCinitaprideME01786668867-6.712566667-
cis-4-Carboxymethylenebut-2-en-4-olideCis-4-carboxymethylenebut-2-en-4-olideME0178675459914C044310.798806667-
cis-Aconitic acidcis-Aconitic acidME017868643757C004171.055025-
CiticolineCytidine 5'-diphosphocholineME01786913804C003070.63761-
Citramalic acidCitramalic acidME0178701081C008151.018675-
Citric acidCitric acidME017871311C001580.695516667-
CitrullineCitrullineME0178729750C003270.616434-
CoumarinCoumarinME01787318327169C058511.5687-
Cyclic AMP3',5' cyclic AMPME0178746076C005751.48685-
CyclohexanoneCyclohexanoneME0178757967C004145.702675-
CysteinylglycineCys-GlyME017876439498C014191.023233333-
CytidineCytidineME0178776175C004750.944435-
Cytidine 2',3'-cyclic phosphate2',3' cyclic CMPME01787853481030-0.6991225-
Cytidine monophosphateCMPME0178796131C000550.692005-
CytosineCytosineME017880597C003800.64155-
D-Alanyl-D-alanineD-Alanyl-D-AlanineME01788120112020C009930.6758075-
DeoxyadenosineDeoxyadenosineME01788213730C005592.94405-
Deoxyribose 1-phosphateDeoxyribose 1-phosphateME017883439287C006721.088642857-
D-Erythrose 4-phosphateErythrose 4-phosphateME017884122357C002790.9155-
D-GlucoseGlucoseME0178855793C000310.595038571-
DiacetoxyscirpenolDiacetoxyscirpenolME01788691518C096628.308533333-
DiacetylDiacetylME017887650C007410.62421-
Diaminopimelic acid2,6-Diaminopimelic acidME017888865C006660.68045125-
DiethylphosphateDiethylphosphateME017889654C066081.3477-
Dihydro-4-mercapto-3(2H)-furanone-ME017890--0.6992475-
DihydrothymineDihydrothymineME01789193556C009060.82554-
DihydrouracilDihydrouracilME017892649C004290.85506375-
DimethylethanolamineDimethylethanolamineME0178947902C043080.6002-
Dimethyl fukiic acid-ME017893--4.28035-
Dimethyl-L-arginineDimethylarginineME017895123831C036260.70204375-
Dipropyl disulfideDipropyl disulfideME01789612377C083731.8962-
DodecanoylcarnitineCAR 12:0ME01789710427569-9.5846-
Eicosapentaenoyl EthanolamideEicosapentenoyl-EAME0178985283450-11.397525-
ErgothioneineErgothioneineME0178993032311C055700.692005-
(-)-erythro-Anethole glycol 1-glucoside-ME017770--9.267866667-
Ethyl tiglateEthyl tiglateME017900108343C084875.211525-
Formiminoglutamic acidFormiminoglutamic acidME017901909C004390.651815-
Fructose 6-phosphateFructose 6-phosphateME01790269507C000850.636795-
GalactosylglycerolGalactosylglycerolME01790316048618C054010.706806667-
Gamma-Aminobutyric acidgamma-Aminobutyric acidME017905119C003340.621585-
Gamma Glutamylglutamic acidgamma-Glutamylglutamic acidME01790492865C052820.8215925-
GenipinGenipinME017906442424C097808.570066667-
Gluconic acidGluconic acidME01790710690C002570.58848-
GlucosamineGlucosamineME017908441477C003290.628076667-
Glutaminyl-PhenylalanineGln-PheME017909--1.254866667-
Glutaric acidGlutaric acidME017910743C004891.495233333-
GlutathioneGlutathioneME017911124886C000511.033075-
Glycerophosphocholinesn-Glycero-3-phosphocholineME017912657272C006700.597295-
Glycerylphosphorylethanolaminesn-Glycero-3-phosphoethanolamineME01791322833510C012330.5887425-
Glycyl-L-leucineGly-LeuME01791492843C021550.7252575-
GlycylprolineGly-ProME0179153013625-0.6768275-
GuanineGuanineME017916764C002420.936562-
GuanosineGuanosineME0179176802C003872.838-
HawkinsinHawkinsinME017918173909-4.648066667-
HeptanoylcarnitineCAR(7:0)ME0179196426896-8.8815125-
HerculinHerculinME0179205318023-9.5818-
HexanoylcarnitineCAR(6:0)ME0179216426853-7.8051-
Hexyl glucosideHexyl glucosideME0179224462283-4.260566667-
HistamineHistamineME017923774C003880.53447-
Histidinyl-TryptophanHis-TrpME0179247009650-9.24185-
Homo-L-arginineHomoarginineME0179259085C019240.6244125-
HydroxybutyrylcarnitineCAR 4:0;OHME01792653481617-1.406666667-
Hydroxyprolyl-Valine-ME017927--3.96175-
HydroxyvalerylcarnitineCAR 5:0;OHME01792853481626-5.84748-
HypoxanthineHypoxanthineME017929790C002621.1708-
icas16-ME017930-icas#168.677866667-
IndoleIndoleME017931798C004634.6681-
Indoleacrylic acidIndoleacrylic acidME01793215030923C003314.6765375-
InosineInosineME0179336021C002942.75732-
Inositol cyclic phosphateInositol cyclic phosphateME017934122331C042993.9183-
Isoleucyl-TyrosineIle-TyrME0179357408194-6.1499-
Isoleucyl-ValineIle-ValME0179367408133-0.90973-
Itaconic acidItaconic acidME017937811C004900.606376667-
L-AcetopineL-AcetopineME01793822675590-0.77796125-
L-AcetylcarnitineCAR(2:0)ME0179391C025711.0308625-
L-ArginineArginineME0179406322C000620.58923375-
L-AsparagineAsparagineME0179416267C001520.8562675-
L-Aspartate-semialdehydeAspartate-semialdehydeME017942439235C004411.042525-
L-Aspartic acidAspartic acidME0179435960C000490.58266125-
L-CarnitineCarnitineME017944288C150250.63191125-
L-CoprineCoprineME017945108079C082711.495833333-
LevetiracetamLevetiracetamME0179465284583C078414.190925-
L-Glutamic acidGlutamic acidME01794733032C000250.59667-
L-GlutamineGlutamineME0179485961C000640.58637375-
L-HistidineHistidineME0179496274C001350.5721075-
Linoleoyl ethanolamideLinoleoyl-EAME0179505283446-11.9197-
L-KynurenineKynurenineME017951161166C003283.163325-
L-LeucineLeucineME0179526106C001230.657995714-
L-L-Homoglutathione-ME0179533375152-1.665633333-
L-LysineLysineME0179545962C000470.55284625-
L-Malic acidMalic acidME017955222656C001490.789901667-
L-MethionineMethionineME0179566137C000731.00165875-
LotaustralinLotaustralinME0179574626626C083341.45005-
L-PhenylalaninePhenylalanineME0179586140C000793.3911875-
L-ProlineProlineME017959145742C001480.55148125-
L-ThreonineThreonineME0179606288C001880.5968925-
L-ThyronineThyronineME017961102544-9.270566667-
L-TryptophanTryptophanME0179626305C000784.675575-
L-TyrosineTyrosineME0179636057C000821.570375-
L-ValineValineME0179646287C001830.6156375-
LysoPC(14:0)LPC 14:0ME017965460604C0423011.54185-
LysoPC(14:1(9Z))LPC 14:1(9Z)ME01796653480465C0423011.0485-
LysoPC(15:0)LPC 15:0ME01796753480465C0423010.804125-
LysoPC(17:0)LPC 17:0ME01796853480465C0423011.64-
LysoPC(18:0)LPC 18:0ME01796953480465C0423012.29646667-
LysoPC(18:1(9Z))LPC 18:1ME01797053480465C0423011.28645-
LysoPC(18:2(9Z,12Z))LPC 18:2(9Z,12Z)ME01797153480465C0423010.934425-
LysoPC(20:1(11Z))LPC 20:1(11Z)ME01797253480465C0423012.319-
LysoPC(20:2(11Z,14Z))LPC 20:2ME01797353480465C0423011.65093333-
LysoPC(20:3(5Z,8Z,11Z))LPC 20:3(5Z,8Z,11Z)ME01797453480465C0423011.08623333-
LysoPC(20:4(5Z,8Z,11Z,14Z))LPC 20:4ME01797553480465C0423010.6842-
LysoPE(0:0/14:0)LPE 14:0ME017976444183-9.9299-
LysoPE(0:0/14:1(9Z))LPE 14:0ME017977444183-9.740433333-
LysoPE(0:0/16:0)LPE 16:0ME01797853480922-11.244075-
LysoPE(0:0/16:1(9Z))LPE 16:1ME01797953480923-9.914075-
LysoPE(0:0/18:1(11Z))LPE 18:1ME01798053480924-10.44433333-
LysoPE(0:0/18:2(9Z,12Z))LPE 18:2ME01798153480926-10.863625-
LysoPE(0:0/20:1(11Z))LPE 20:1ME01798253480931-10.972475-
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))LPE 20:5ME01798353480938-10.506375-
LysoPE(0:0/22:1(13Z))LPE 22:1ME01798453480940-11.947275-
Maleic acid homopolymerMaleic acid homopolymerME01798511848C009220.644613333-
Methionine sulfoximineMethionine sulfoximineME01798624755488C035103.5270375-
Methionyl-SerineMet-SerME017987--0.58386625-
Mevalonic acid-5P5-Phosphomevalonic acidME017988439400C011070.57214-
N1-AcetylspermidineN1-AcetylspermidineME017993496C006120.585555-
N-(1-Deoxy-1-fructosyl)phenylalanine-ME017989--3.686233333-
N-(1-Deoxy-1-fructosyl)tryptophanN-(1-Deoxy-1-fructosyl)tryptophanME017990--4.811575-
N-(1-Deoxy-1-fructosyl)tyrosine-ME017991--1.105225-
N2-SuccinoylarginineN2-SuccinoylarginineME017994463C068621.26696-
N2-Succinyl-L-ornithineN2-SuccinylornithineME017995127370C034151.32445-
N-(3-Methylbutyl)acetamideN-(3-Methylbutyl)acetamideME01799298643-1.911966667-
N6-Carbamoyl-L-threonyladenosineN6-Carbamoyl-L-threonyladenosineME017997161466-5.27725-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME017996440120C037930.57187-
N-a-Acetyl-L-arginineN-AcetylarginineME01799867427-0.99233875-
N-AcetylcystathionineN-AcetylcystathionineME017999152314-0.800486667-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME018000439174C001400.647144286-
N-Acetylglutamic acidN-Acetylglutamic acidME01800170914C006241.31395-
N-AcetylglutamineN-AcetylglutamineME01800225561-0.91324-
N-AcetylhistidineN-AcetylhistidineME01800375619C029970.708705-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME01800465065C010421.022783333-
N-Acetyl-L-methionineN-AcetylmethionineME018005448580C027124.349475-
N-AcetylornithineN-AcetylornithineME018006439232C004370.645414286-
N-AcetylserotoninN-AcetylserotoninME018007903C009785.654925-
N-CarbamoylputrescineN-CarbamoylputrescineME018008502C004360.641798571-
NeurineNeurineME01800910042-0.6151825-
N'-FormylkynurenineN-Formyl-L-kynurenineME018010439788C024063.809325-
N-gamma-L-Glutamyl-L-methionineN-gamma-GlutamylmethionineME01801113894652-1.279675-
NiacinamideNiacinamideME018012936C001530.746695-
Niazimin A-ME018013--9.343275-
Nicotinamide ribotideNicotinamide ribotideME01801414180C004550.697905-
Nicotinic acidNicotinic acidME018015938C002530.952535-
N-Isobutyl-2,4,8,10,12-tetradecapentaenamideN-Isobutyl-2,4,8,10,12-tetradecapentaenamideME0180165318518-9.4774-
N-Methylcalystegine C1-ME018017--0.909523333-
NorfuraneolNorfuraneolME0180184564493-2.540457143-
Ophthalmic acidOphthalmic acidME0180197018721-1.232375-
OrnithineOrnithineME0180206262C000770.550706-
Oxitriptan5-Hydroxy-tryptophanME018021439280C006431.402775-
Oxoglutaric acidOxoglutaric acidME01802251C000261.01522-
Palmitoleoyl EthanolamidePalmitoleoyl-EAME0180239835868-11.662825-
PantetheinePantetheineME018024439322C008315.253633333-
Pantothenic acidPantothenic acidME018025988C008644.0573375-
p-Cresol glucuronideP-Cresol glucuronideME018026154035-5.80485-
Pectic acidPectic acidME018027439239C004700.581076667-
PenbutololPenbutololME01802837464C0741610.5415-
PentobarbitalPentobarbitalME0180294737C074221.558-
Phaseolic acidPhaseolic acidME0180305281786C104834.309-
Phenylpyruvic acidPhenylpyruvic acidME018031997C001661.57-
PhlorinPhlorinME01803220055371-0.631225-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME018033151438C134820.58554-
Pipecolic acidPipecolic acidME018034849C004080.5532775-
PiperidinePiperidineME0180358082C017460.53648-
PirbuterolPirbuterolME0180364845C078071.352525-
PorphobilinogenPorphobilinogenME0180371021C009314.0127-
PramipexolePramipexoleME01803859868-5.4935-
Proline betaineProline betaineME018039115244C101720.691754286-
ProlylhydroxyprolinePro-hydroxyProME01804011902892-0.8087125-
PropionylcarnitineCAR(3:0)ME018041188824C030172.3267875-
PterinPterinME01804273000C007151.6687-
Pteroside BPteroside BME018043134279-9.244-
PutrescinePutrescineME0180441045C001340.5228575-
Pyridine N-oxide glucuronide-ME018045--8.10565-
PyridoxalPyridoxalME0180461050C002501.07225-
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME0180471051C000181.09615-
Pyroglutamic acidPyroglutamic acidME0180487405C018790.59167-
(S)-2,3,4,5-tetrahydropyridine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME01777424771808C004500.692526667-
(S)-4-Hydroxymandelonitrile4-HydroxymandelonitrileME017775440104C037421.074025-
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside-ME01777621225084-1.1574-


Analysis: MS negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
11-Hydroxy-9-tridecenoic acid11-Hydroxy-9-tridecenoic acidME01833571333828-10.43-
1,2,3-Trihydroxybenzene1,2,3-TrihydroxybenzeneME0183341057C011084.50-
1H-Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME01833610256C084937.97-
1-Methylguanosine1-MethylguanosineME01833796373C045453.87-
1-Methylinosine1-MethylinosineME01833865095-3.88-
1-Pyrroline-2-carboxylic acid1-Pyrroline-2-carboxylic acidME018339440046C035640.71-
1-(sn-Glycero-3-phospho)-1D-myo-inositolsn-Glycero-3-phosphoinositolME01833345480545C012250.55-
2-Aminobenzoic acid2-Aminobenzoic acidME018341227C001084.78-
2-Aminomuconic acid2-Aminomuconic acidME0183425459864C022201.02-
2-Furoic acid2-Furoic acidME0183436919C015460.65-
(±)-2-Hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME01833011427-4.05-
2-Hydroxyadipic acid2-Hydroxyadipic acidME018344193530C023600.59-
2-Isopropylmalic acid2-Isopropylmalic acidME01834577C025044.93-
2-Ketobutyric acid3-Methyl pyruvic acidME01834658C001090.61-
2-Keto-glutaramic acid2-Keto-glutaramic acidME01834748C009400.72-
2-(Methylthio)pyrazine2-(Methylthio)pyrazineME018340519907-0.69-
3-(2-Hydroxyphenyl)propanoic acid3-(2-Hydroxyphenyl)propanoic acidME018348873C011986.73-
3-Dehydrocarnitine3-DehydrocarnitineME0183496991982C026364.66-
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid3-Deoxy-D-glycero-D-galacto-2-nonulosonic acidME01835010869261-0.66-
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acidME01835112313370-3.95-
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME01835286C006323.98-
3-Hydroxyisoheptanoic acid3-Hydroxyisoheptanoic acidME018353193804-7.03-
3-Methyladenine3-MethyladenineME0183541673C009130.89-
3-Methylguanine3-MethylguanineME01835576292C022301.32-
4-Hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME018356599C011270.62-
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME018357135C001564.90-
4-Hydroxybutyric acid4-Hydroxybutyric acidME01835871748914C009891.00-
4-Hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME018359440731C055956.96-
4-Pyridoxic acid4-Pyridoxic acidME0183606723C008472.48-
5-Aminolevulinic acid5-Amino-levulinic acidME018361137C004301.02-
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid5-Hexyltetrahydro-2-oxo-3-furancarboxylic acidME01836210375946-9.14-
5-Hydroxyisourate5-Hydroxyisouric acidME018363250388C118211.09-
5-L-Glutamyl-L-alaninegamma-GlutamylalanineME018364440103C037401.04-
5'-Methylthioadenosine5'-MethylthioadenosineME018365439176C001704.81-
5-Thymidylic aciddTMPME0183669700C003641.57-
7-Aminomethyl-7-carbaguanine7-Aminomethyl-7-carbaguanineME018367171C166753.46-
7-Methylxanthine7-MethylxanthineME01836868374C163532.31-
8-Hydroxy-7-methylguanine8-Hydroxy-7-methylguanineME018369308075-1.26-
8-Hydroxyguanine8-HydroxyguanineME01837065154C201550.87-
Acaciabiuronic acid-ME018371--0.61-
AdenineAdenineME018372190C001470.95-
AdenosineAdenosineME01837360961C002123.38-
Adenosine monophosphateAMPME0183746083C000200.94-
Alanyl-IsoleucineAla-IleME018375--1.05-
Allantoic acidAllantoic acidME018376203C004990.60-
AllantoinAllantoinME018377204C015510.56-
AllocystathionineAllocystathionineME01837810104953C005420.57-
AllysineAllysineME018379207C014752.11-
Alpha-ketoisovaleric acidKetoisovaleric acidME01838049C001411.20-
Alpha-N-Phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME01838192258C041485.60-
Aminoadipic acidAminoadipic acidME018382469C009562.22-
Arabinonic acidArabinonic acidME018383122045C008780.60-
Arachidonic acidArachidonic acidME018384444899C0021912.78-
ascr1-ME018385--7.11-
ascr10-ME018386--8.81-
ascr11-ME018387--4.29-
ascr18-ME018388--9.38-
ascr5-ME018389--3.46-
ascr7-ME018390--6.76-
beta-D-3-Ribofuranosyluric acid3-(beta-D-Ribofuranosyl)uric acidME018391164933C055133.90-
beta-D-Glucopyranosyl anthranilate-ME018392--4.47-
BiotinBiotinME018393171548C001206.22-
Butyric acidButyric acidME01839420975673C002462.55-
CDP-EthanolamineCDP-EthanolamineME018395123727C005700.62-
cis-Aconitic acidcis-Aconitic acidME018396643757C004170.70-
Citramalic acidCitramalic acidME0183971081C008151.00-
Citric acidCitric acidME018398311C001580.62-
Cyclic AMP3',5' cyclic AMPME0183996076C005751.49-
Cyclic GMP3',5' cyclic GMPME01840024316C009421.74-
CytidineCytidineME0184016175C004750.94-
Cytidine 2',3'-cyclic phosphate2',3' cyclic CMPME01840253481030-0.71-
Cytidine monophosphateCMPME0184036131C000550.70-
dCMPdCMPME01840413945C002390.84-
Decarbamoylgonyautoxin IIIDecarbamoylgonyautoxin IIIME01840553461858-0.71-
Deoxyadenosine monophosphatedAMPME01840612599C003601.25-
Deoxyribose2-Deoxy-riboseME0184079828112C018010.99-
D-Erythrose 4-phosphateErythrose 4-phosphateME018408122357C002790.92-
D-GlucoseGlucoseME0184095793C000310.60-
DiacetylDiacetylME018410650C007410.69-
Diaminopimelic acid2,6-Diaminopimelic acidME018411865C006660.68-
DihydrothymineDihydrothymineME01841293556C009060.58-
Dimethyl fukiic acid-ME018413--4.28-
Dipropyl disulfideDipropyl disulfideME01841412377C083731.90-
D-Leucic acidD-Leucic acidME018415439960C032645.90-
D-Ribulose 5-phosphateRibulose 5-phosphateME018416439184C001170.58-
ErythroseErythroseME01841794176C017960.60-
FagomineFagomineME01841872259C101444.03-
Flavin MononucleotideFMNME018419643976C000615.68-
Formiminoglutamic acidFormiminoglutamic acidME018420439233C004390.65-
Fructose 6-phosphateFructose 6-phosphateME01842169507C000850.56-
Fucose 1-phosphateFucose 1-phosphateME018422439871C029850.59-
Fumaric acidFumaric acidME018423444972C001220.58-
GalactosylglycerolGalactosylglycerolME018424656504C054010.69-
Gamma-Aminobutyric acidgamma-Aminobutyric acidME018426119C003340.61-
Gamma Glutamylglutamic acidgamma-Glutamylglutamic acidME01842592865C052820.82-
Garcinia acidGarcinia acidME018427185620-0.61-
Gluconic acidGluconic acidME01842810690C002570.59-
Glucosamine 6-phosphateGlucosamine 6-phosphateME018429439217C003520.62-
Glutaric acidGlutaric acidME018430743C004892.55-
GlutathioneGlutathioneME018431124886C000510.96-
Glycerol tributanoateTG 4:0/4:0/4:0ME0184326050C138708.69-
Glycerylphosphorylethanolaminesn-Glycero-3-phosphoethanolamineME01843322833510C012330.59-
Glycyl-L-leucineGly-LeuME01843492843C021550.93-
GlycylprolineGly-ProME0184353013625-0.67-
GuanineGuanineME018436764C002420.94-
GuanosineGuanosineME0184376802C003872.84-
Guanosine monophosphateGMPME0184386804C001441.00-
HistamineHistamineME018439774C003880.71-
Homocysteinesulfinic acidHomocysteinesulfinic acidME018440161712-0.69-
Hydantoin-5-propionic acidHydantoin-5-propionic acidME018441782C055651.37-
Hydroxyphenyllactic acidHydroxyphenyllactic acidME0184429378C036724.60-
Hydroxyprolyl-Valine-ME018443--3.95-
HypoxanthineHypoxanthineME018444790C002621.16-
icas9-ME018445-icas#99.28-
IfosfamideIfosfamideME0184463690C070470.57-
Ilicifolinoside A-ME018447--3.64-
Imidazoleacetic acid ribosideImidazoleacetic acid ribosideME018448440569C051313.64-
InosineInosineME0184496021C002942.76-
Inositol cyclic phosphateInositol cyclic phosphateME018450122331C042990.56-
Isoleucyl-TyrosineIle-TyrME0184517408194-6.15-
Isopentenyl pyrophosphateIsopentenyl-diphosphateME0184521195C001291.71-
Isopropyl citrate-ME01845361986-4.01-
IsoxanthopterinIsoxanthopterinME01845410729C039751.83-
Itaconic acidItaconic acidME018455811C004900.64-
KetoleucineKetoleucineME01845670C002334.33-
L-AcetopineL-AcetopineME01845722675590-0.78-
L-AcetylcarnitineCAR(2:0)ME0184581C025716.96-
L-ArginineArginineME0184596322C000620.58-
L-AsparagineAsparagineME0184606267C001520.57-
L-Aspartate-semialdehydeAspartate-semialdehydeME018461439235C004411.21-
L-Aspartic acidAspartic acidME0184625960C000490.76-
L-CoprineCoprineME0184634479242C082711.49-
L-Glutamic acidGlutamic acidME01846433032C000250.66-
L-GlutamineGlutamineME0184655961C000640.58-
L-HistidineHistidineME0184666274C001350.57-
L-LeucineLeucineME0184676106C001231.54-
L-L-Homoglutathione-ME0184683375152-1.66-
L-LysineLysineME0184695962C000470.55-
L-Malic acidMalic acidME018470222656C001490.82-
L-MethionineMethionineME0184716137C000731.00-
LotaustralinLotaustralinME0184724626626C083341.45-
L-PhenylalaninePhenylalanineME0184736140C000793.39-
L-ProlineProlineME018474145742C001480.66-
L-ThreonineThreonineME0184756288C001880.60-
L-TryptophanTryptophanME0184766305C000784.68-
L-TyrosineTyrosineME0184776057C000821.57-
L-ValineValineME0184786287C001830.67-
LysoPC(14:0)LPC 14:0ME018479460604C0423011.37-
LysoPC(14:1(9Z))LPC 14:1(9Z)ME01848053480465C0423010.35-
LysoPC(15:0)LPC 15:0ME01848153480465C0423012.16-
LysoPE(0:0/14:0)LPE 14:0ME018482444183-9.97-
LysoPE(0:0/14:1(9Z))LPE 14:0ME018483444183-9.76-
LysoPE(0:0/15:0)LPE 15:0ME01848453480921-10.13-
LysoPE(0:0/16:0)LPE 16:0ME01848553480922-11.24-
LysoPE(0:0/16:1(9Z))LPE 16:1ME01848653480923-10.11-
LysoPE(0:0/18:1(11Z))LPE 18:1ME01848753480924-11.20-
LysoPE(0:0/18:2(9Z,12Z))LPE 18:2ME01848853480926-10.74-
LysoPE(0:0/20:2(11Z,14Z))LPE 20:2ME01848953480932-11.52-
LysoPE(0:0/20:3(11Z,14Z,17Z))LPE 20:3ME01849053480933-11.12-
LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))LPE 20:4ME01849153480936-10.66-
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))LPE 20:5ME01849253480938-10.45-
MannitolMannitolME0184936251C003920.60-
MetaxaloneMetaxaloneME01849415459C079348.35-
Methionyl-SerineMet-SerME018495--0.58-
MethylpyrazineMethylpyrazineME0184967976-1.08-
Mevalonic acidMevalonic acidME018497439230C004181.60-
N-(1-Deoxy-1-fructosyl)methionine-ME018498--1.69-
N-(1-Deoxy-1-fructosyl)phenylalanine-ME018499--3.61-
N-(1-Deoxy-1-fructosyl)tyrosine-ME018500--1.11-
N2-Succinyl-L-ornithineN2-SuccinylornithineME018501127370C034151.32-
N6-Carbamoyl-L-threonyladenosineN6-Carbamoyl-L-threonyladenosineME018502161466-5.28-
N-a-Acetyl-L-arginineN-AcetylarginineME01850367427-0.99-
N-AcetylcystathionineN-AcetylcystathionineME018504152314-0.80-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME018505439174C001400.65-
N-Acetylglutamic acidN-Acetylglutamic acidME01850670914C006241.31-
N-AcetylglutamineN-AcetylglutamineME01850725561-0.91-
N-AcetylhistamineN-AcetylhistamineME01850825561C051350.70-
N-AcetylhistidineN-AcetylhistidineME01850975619C029970.72-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME01851065065C010420.94-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME01851174839C035197.15-
N-Acetyl-L-tyrosineN-AcetyltyrosineME01851289216C016574.86-
N-AcetylornithineN-AcetylornithineME018513439232C004370.70-
NebularineNebularineME01851468368C017363.37-
N'-FormylkynurenineN-Formyl-L-kynurenineME018515439788C024063.81-
N-gamma-L-Glutamyl-L-methionineN-gamma-GlutamylmethionineME01851613894652-1.28-
N-Gluconyl ethanolamine phosphateN-Gluconyl ethanolamine phosphateME01851771587802-0.62-
Nicotinic acidNicotinic acidME018518938C002530.95-
N-Methylcalystegine C1-ME018519--0.91-
NorfuraneolNorfuraneolME0185204564493-0.60-
OctafluorocyclobutaneOctafluorocyclobutaneME0185218263-1.20-
Ophthalmic acidOphthalmic acidME0185227018721-1.24-
OrnithineOrnithineME0185236262C000770.54-
Orotic acidOrotic acidME018524967C002950.74-
Oxitriptan5-Hydroxy-tryptophanME018525439280C006431.40-
Oxoadipic acidOxoadipic acidME01852671C003221.20-
Oxoglutaric acidOxoglutaric acidME01852751C000260.58-
PantetheinePantetheineME018528439322C008315.26-
Pantothenic acidPantothenic acidME018529988C008644.06-
Pectic acidPectic acidME018530445929C004700.59-
Phaseolic acidPhaseolic acidME0185315281786C104836.01-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME018532151438C134820.58-
Pimelic acidPimelic acidME018533385C026563.38-
Polyethylene glycol8-Amino-7-oxononanoic acidME01853425244029C010927.69-
PorphobilinogenPorphobilinogenME0185351021C009314.02-
Prenyl glucosidePhellamurinME018536193876C098085.01-
ProlylhydroxyprolinePro-hydroxyProME01853711902892-0.82-
PrunasinPrunasinME018538576072C008447.31-
PterinPterinME01853973000C007151.67-
Pyridine N-oxide glucuronide-ME018540--4.68-
PyridoxalPyridoxalME0185411050C002501.07-
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME0185421051C000181.09-
Pyroglutamic acidPyroglutamic acidME0185437405C018790.61-
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME01854412473C059423.86-
Retinyl esterRetinyl esterME0185455460164C0207512.29-
RiboflavinRiboflavinME018546493570C002556.34-
(S)-2-Aceto-2-hydroxybutanoic acidAcetohydroxybutyric acidME018331440875C060061.65-
(S)-9-Hydroxy-10-undecenoic acid(S)-9-Hydroxy-10-undecenoic acidME01833210465398-9.07-
SaccharopineSaccharopineME018547160556C004490.59-
S-AdenosylhomocysteineS-AdenosylhomocysteineME018548439155C000212.23-
SarmentosinSarmentosinME0185495281123C083403.55-
S-Carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME018550193653C037270.66-
Sebacic acidSebacic acidME0185515192C082776.72-
SepiapterinSepiapterinME0185525200C008351.74-
Succinic acidSuccinic acidME0185531110C000420.85-
Succinic anhydrideSuccinic anhydrideME0185547922C195240.70-
SuccinyladenosineSuccinyladenosineME0185555957C000024.27-
SucroseSucroseME0185565988C000890.64-
TetrahydropentoxylineTetrahydropentoxylineME018557192669-3.63-
Thiomorpholine 3-carboxylateThiomorpholine-3-carboxylic acidME018558440159C039010.90-
Threonic acidD-Threonic acidME018559151152C016200.62-
Tiglic acidTiglic acidME0185606656C082794.09-
trans-Cinnamic acidtrans-Cinnamic acidME0185613920069C004233.37-
Undecanedioic acidUndecanedioic acidME01856215816-9.30-
UracilUracilME0185631174C001060.74-
Ureidosuccinic acidN-Carbamoylaspartic acidME018564279C004380.74-
Uric acidUric acidME0185651175C003661.11-
UridineUridineME0185666029C002990.91-
Uridine 2',3'-cyclic phosphate2',3' cyclic UMPME018567439715C023550.95-
Uridine 5'-monophosphateUMPME0185686030C001050.76-
Uridine diphosphate glucoseUDP-glucoseME01856953477679C000290.76-
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME018570445675C000430.67-
Urocanic acidUrocanic acidME018571736715C007851.08-
VinylacetylglycineVinylacetylglycineME01857253477718-0.66-
WybutoxineWybutoxineME018573193232-7.51-
XanthineXanthineME0185741188C003851.38-
XanthosineXanthosineME01857564959C017623.64-
ZalcitabineZalcitabineME01857624066C072070.85-


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