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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
(-)-1-Methylpropyl 1-propenyl disulfide1-Methylpropyl 1-propenyl disulfideME645484--2.413625-
(-)-erythro-Anethole glycol 1-glucoside-ME645485--9.267866667-
(+)-2,3-Dihydro-3-methyl-1H-pyrrole-ME645486--0.5510375-
(±)-2-Methylthiazolidine2-MethylthiazolidineME64548732196-1.003904-
(2R)-2-Hydroxy-2-methylbutanenitrile2-Hydroxy-2-methylbutanenitrileME64548812650900C187960.67882-
(S)-2,3,4,5-tetrahydropyridine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME64548924771808C004500.692526667-
(S)-4-Hydroxymandelonitrile4-HydroxymandelonitrileME645490440104C037421.074025-
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside-ME64549121225084-1.1574-
1,2,3-Trihydroxybenzene1,2,3-TrihydroxybenzeneME6454921057C011080.6406975-
1,2-Dihydroxy-3-keto-5-methylthiopentene1,2-Dihydroxy-3-keto-5-methylthiopenteneME6454935462190C156065.033175-
1,7-Dimethylguanosine1,7-DimethylguanosineME645494160130-0.8513975-
10-FormyltetrahydrofolateN10-Formyl-THFME645495122347C002348.16965-
1-Aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME645496535C012340.60757875-
1-Cyano-2-hydroxy-3-butene1-Cyano-2-hydroxy-3-buteneME64549791586-0.63845-
1H-Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME64549810256C084934.6614-
1-Methylguanosine1-MethylguanosineME64549996373C045453.8673125-
1-Methylhistidine1-MethylhistidineME64550092105C011520.5782775-
1-Methylinosine1-MethylinosineME64550165095-3.8522-
1-Pyrroline1-PyrrolineME64550211966285C156680.4962375-
1-Pyrroline-2-carboxylic acid1-Pyrroline-2-carboxylic acidME645503440046C035640.668784-
2,6 Dimethylheptanoyl carnitineCAR 7:0;2Me,6MeME64550453477823-9.656425-
2-Aminobenzoic acid2-Aminobenzoic acidME645505227C001080.6496125-
2-Aminomuconic acid2-Aminomuconic acidME64550628C022201.0211625-
2-Aminonaphthalene2-AminonaphthaleneME6455077057C022274.664-
2-Benzoxazolol2-BenzoxazololME6455086043-3.985933333-
2-Furancarboxaldehyde2-FurancarboxaldehydeME64550957445953C142790.63648125-
2-Furanmethanethiol2-FuranmethanethiolME6455107363-2.7565-
2-Hydroxyadipic acid2-Hydroxyadipic acidME645511193530C023600.64293375-
2-Hydroxyfelbamate2-HydroxyfelbamateME64551210400039C165820.832093333-
2-Keto-6-acetamidocaproate2-Keto-6-acetamidocaproic acidME645513194080C055480.907681667-
2-Keto-glutaramic acid2-Keto-glutaramic acidME64551448C009401.3807-
2-MethylbutyroylcarnitineCAR 4:0;2MeME6455156426901-5.7604125-
2-OctenoylcarnitineCAR 8:1(2)ME64551653481667-8.9409-
2-Oxoarginine2-OxoarginineME645517558C037710.794622-
2-Phenylacetamide2-PhenylacetamideME6455187680C025051.5733-
2-Pyrrolidinone2-PyrrolidinoneME64551912025C111180.623825-
2-Undecyl-4(1H)-quinolinone2-Undecyl-4(1H)-quinolinoneME64552010063343-9.675425-
3,3'-Thiobispropanoic acid3,3'-Thiobispropanoic acidME6455218096-0.6272-
3,4-Methylenedioxyamphetamine3,4-MethylenedioxyamphetamineME6455221614C075775.521057143-
3-Amino-2-piperidone3-Amino-2-piperidoneME6455235200225-0.643991429-
3-Dehydrocarnitine3-DehydrocarnitineME6455246991982C026360.93081-
3-Dehydroxycarnitine3-DehydroxycarnitineME645525725C055430.680226667-
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid-ME64552612313370-5.87935-
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME64552786C006323.985233333-
3-Hydroxydodecanedioic acid3-Hydroxy-dodecanedioic acidME64552816663321-5.8508375-
3-Hydroxysebacic acid3-Hydroxysebacic acidME645529553954-4.237833333-
3-Methyl sulfolene-ME645530--0.998845-
3-Methyladenine3-MethyladenineME6455311673C009130.89769-
3-Methylguanine3-MethylguanineME64553276292C022301.3330125-
4a-Carbinolamine tetrahydrobiopterin4a-Carbinolamine tetrahydrobiopterinME645533133246C002681.60636-
4-Amino-1-piperidinecarboxylic acid4-Amino-1-piperidinecarboxylic acidME645534445262C168371.41218-
4-Aminobutyraldehyde4-AminobutyraldehydeME645535118C005550.6524-
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME645536500C010350.9697425-
4-Hydroxy-2-butenoic acid gamma-lactone4-Hydroxy-2-butenoic acid gamma-lactoneME64553710341C176010.64082125-
4-Hydroxybutyric acid4-Hydroxybutyric acidME64553810413C009891.6348-
4-Hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME645539440731C055954.486225-
5-Aminolevulinic acid5-Amino-levulinic acidME645540137C004300.59429875-
5-Aminopentanal5-AminopentanalME645541443849C124550.903006667-
5-Aminopentanamide5-AminopentanamideME645542439358C009900.6740975-
5-Hydroxy-2-furoic acid5-Hydroxy-2-furoic acidME6455434161539-1.052528571-
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME6455441826C056353.164066667-
5-Hydroxyisourate5-Hydroxyisouric acidME645545250388C118211.09995-
5-Hydroxytryptophol5-HydroxytryptopholME6455469061-3.84092-
5-L-Glutamyl-L-alaninegamma-GlutamylalanineME645547440103C037400.7763475-
5-Methylcytidine5-MethylcytidineME64554892918-2.348925-
5-Methylcytosine5-MethylcytosineME64554965040C023760.74355-
5'-Methylthioadenosine5'-MethylthioadenosineME645550439176C001700.62981-
6-Acetyl-1,2,3,4-tetrahydropyridine6-Acetyl-1,2,3,4-tetrahydropyridineME645551520194-0.9210625-
7-Aminomethyl-7-carbaguanine7-Aminomethyl-7-carbaguanineME645552171C166753.45935-
8-Hydroxy-7-methylguanine8-Hydroxy-7-methylguanineME645553308075-1.258666667-
8-Hydroxyguanine8-HydroxyguanineME64555465154C201550.8715-
AcetylisoniazidAcetylisoniazidME64555571602C075850.707722-
AdenineAdenineME645556190C001470.95626125-
AdenosineAdenosineME64555760961C002122.526275-
Adenosine monophosphateAMPME6455586083C000200.9447325-
AgmatineAgmatineME645559199C001790.571702-
Alanyl-IsoleucineAla-IleME645560--1.057-
Alanyl-ProlineAla-ProME645561--0.680633333-
Allantoic acidAllantoic acidME645562203C004990.60807125-
AllantoinAllantoinME645563204C015510.6342275-
AllocystathionineAllocystathionineME64556410104953C005420.577195-
AllysineAllysineME645565207C014750.6981025-
Alpha-N-Phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME64556692258C041485.59875-
Aminoadipic acidAminoadipic acidME645567469C009560.68007125-
Arachidonic acidArachidonic acidME645568444899C0021912.6529-
Ascorbic acidVitamin CME64556954670067C000720.806483333-
ascr1-ME645570--7.114366667-
ascr4-ME645571--5.70285-
ascr6-ME645572--5.7597875-
Asparaginyl-GlutamateAsn-GluME645573--1.1574-
Benzoic acidBenzoic acidME645574243C001801.56735-
beta-D-Glucopyranosyl anthranilate-ME645575--5.005925-
BiotinBiotinME645576171548C001206.213925-
ButyrylcarnitineCAR 4:0ME645577213144C028624.202-
CadaverineCadaverineME645578273C016720.538361429-
Carglumic acidCarglumic acidME645579121396C058290.60559-
CascarillinCascarillinME645580442011C090718.2186-
CinitaprideCinitaprideME64558168867-6.712566667-
cis-4-Carboxymethylenebut-2-en-4-olidecis-4-Carboxymethylenebut-2-en-4-olideME6455825459914C044310.798806667-
cis-Aconitic acidcis-Aconitic acidME645583643757C004171.055025-
CiticolineCDP-cholineME64558413804C003070.63761-
Citramalic acidCitramalic acidME6455851081C008151.018675-
Citric acidCitric acidME645586311C001580.695516667-
CitrullineCitrullineME6455879750C003270.616434-
CoumarinCoumarinME64558818327169C058511.5687-
Cyclic AMP3',5' cyclic AMPME6455896076C005751.48685-
CyclohexanoneCyclohexanoneME6455907967C004145.702675-
CysteinylglycineCys-GlyME645591439498C014191.023233333-
CytidineCytidineME6455926175C004750.944435-
Cytidine 2',3'-cyclic phosphate2',3' cyclic CMPME64559353481030-0.6991225-
Cytidine monophosphateCMPME6455946131C000550.692005-
CytosineCytosineME645595597C003800.64155-
D-Alanyl-D-alanineD-Alanyl-D-AlanineME64559620112020C009930.6758075-
DeoxyadenosineDeoxyadenosineME64559713730C005592.94405-
Deoxyribose 1-phosphateDeoxyribose 1-phosphateME645598439287C006721.088642857-
D-Erythrose 4-phosphateErythrose 4-phosphateME645599122357C002790.9155-
D-GlucoseGlucoseME6456005793C000310.595038571-
DiacetoxyscirpenolDiacetoxyscirpenolME64560191518C096628.308533333-
DiacetylDiacetylME645602650C007410.62421-
Diaminopimelic acidDiaminopimelic acidME645603865C006660.68045125-
DiethylphosphateDiethylphosphateME645604654C066081.3477-
Dihydro-4-mercapto-3(2H)-furanone-ME645605--0.6992475-
DihydrothymineDihydrothymineME64560693556C009060.82554-
DihydrouracilDihydrouracilME645607649C004290.85506375-
Dimethyl fukiic acid-ME645608--4.28035-
DimethylethanolamineDimethylethanolamineME6456097902C043080.6002-
Dimethyl-L-arginineDimethylarginineME645610123831C036260.70204375-
Dipropyl disulfideDipropyl disulfideME64561112377C083731.8962-
DodecanoylcarnitineCAR 12:0ME64561210427569-9.5846-
Eicosapentaenoyl EthanolamideEicosapentenoyl-EAME6456135283450-11.397525-
ErgothioneineErgothioneineME6456143032311C055700.692005-
Ethyl tiglateEthyl tiglateME645615108343C084875.211525-
Formiminoglutamic acidFormiminoglutamic acidME645616909C004390.651815-
Fructose 6-phosphateFructose 6-phosphateME64561769507C000850.636795-
GalactosylglycerolGalactosylglycerolME64561816048618C054010.706806667-
Gamma Glutamylglutamic acidgamma-Glutamylglutamic acidME64561992865C052820.8215925-
Gamma-Aminobutyric acidgamma-Aminobutyric acidME645620119C003340.621585-
GenipinGenipinME645621442424C097808.570066667-
Gluconic acidGluconic acidME64562210690C002570.58848-
GlucosamineGlucosamineME645623441477C003290.628076667-
Glutaminyl-PhenylalanineGln-PheME645624--1.254866667-
Glutaric acidGlutaric acidME645625743C004891.495233333-
GlutathioneGlutathioneME645626124886C000511.033075-
Glycerophosphocholinesn-Glycero-3-phosphocholineME645627657272C006700.597295-
Glycerylphosphorylethanolaminesn-Glycero-3-phosphoethanolamineME64562822833510C012330.5887425-
Glycyl-L-leucineGly-LeuME64562992843C021550.7252575-
GlycylprolineGly-ProME6456303013625-0.6768275-
GuanineGuanineME645631764C002420.936562-
GuanosineGuanosineME6456326802C003872.838-
HawkinsinHawkinsinME645633173909-4.648066667-
HeptanoylcarnitineCAR 7:0ME6456346426896-8.8815125-
HerculinHerculinME6456355318023-9.5818-
HexanoylcarnitineCAR 6:0ME6456366426853-7.8051-
Hexyl glucosideHexyl glucosideME6456374462283-4.260566667-
HistamineHistamineME645638774C003880.53447-
Histidinyl-TryptophanHis-TrpME6456397009650-9.24185-
Homo-L-arginineHomoarginineME6456409085C019240.6244125-
HydroxybutyrylcarnitineCAR 4:0;OHME64564153481617-1.406666667-
Hydroxyprolyl-Valine-ME645642--3.96175-
HydroxyvalerylcarnitineCAR 5:0;OHME64564353481626-5.84748-
HypoxanthineHypoxanthineME645644790C002621.1708-
icas16-ME645645--8.677866667-
IndoleIndoleME645646798C004634.6681-
Indoleacrylic acidIndoleacrylic acidME64564715030923C003314.6765375-
InosineInosineME6456486021C002942.75732-
Inositol cyclic phosphateInositol cyclic phosphateME645649122331C042993.9183-
Isoleucyl-TyrosineIle-TyrME6456507408194-6.1499-
Isoleucyl-ValineIle-ValME6456517408133-0.90973-
Itaconic acidItaconic acidME645652811C004900.606376667-
L-AcetopineL-AcetopineME64565322675590-0.77796125-
L-AcetylcarnitineCAR 2:0ME6456541C025711.0308625-
L-ArginineArginineME6456556322C000620.58923375-
L-AsparagineAsparagineME6456566267C001520.8562675-
L-Aspartate-semialdehydeAspartate-semialdehydeME645657439235C004411.042525-
L-Aspartic acidAspartic acidME6456585960C000490.58266125-
L-CarnitineCarnitineME645659288C150250.63191125-
L-CoprineCoprineME645660108079C082711.495833333-
LevetiracetamLevetiracetamME6456615284583C078414.190925-
L-Glutamic acidGlutamic acidME64566233032C000250.59667-
L-GlutamineGlutamineME6456635961C000640.58637375-
L-HistidineHistidineME6456646274C001350.5721075-
Linoleoyl ethanolamideLinoleoyl-EAME6456655283446-11.9197-
L-KynurenineKynurenineME645666161166C003283.163325-
L-LeucineLeucineME6456676106C001230.657995714-
L-L-Homoglutathione-ME6456683375152-1.665633333-
L-LysineLysineME6456695962C000470.55284625-
L-Malic acidMalic acidME645670222656C001490.789901667-
L-MethionineMethionineME6456716137C000731.00165875-
LotaustralinLotaustralinME6456724626626C083341.45005-
L-PhenylalaninePhenylalanineME6456736140C000793.3911875-
L-ProlineProlineME645674145742C001480.55148125-
L-ThreonineThreonineME6456756288C001880.5968925-
L-ThyronineThyronineME645676102544-9.270566667-
L-TryptophanTryptophanME6456776305C000784.675575-
L-TyrosineTyrosineME6456786057C000821.570375-
L-ValineValineME6456796287C001830.6156375-
LysoPC(14:0)LPC 14:0ME645680460604C0423011.54185-
LysoPC(14:1(9Z))LPC 14:1(9Z)ME64568153480465C0423011.0485-
LysoPC(15:0)LPC 15:0ME64568253480465C0423010.804125-
LysoPC(17:0)LPC 17:0ME64568353480465C0423011.64-
LysoPC(18:0)LPC 18:0ME64568453480465C0423012.29646667-
LysoPC(18:1(9Z))LPC 18:1(9Z)ME64568553480465C0423011.28645-
LysoPC(18:2(9Z,12Z))LPC 18:2(9Z,12Z)ME64568653480465C0423010.934425-
LysoPC(20:1(11Z))LPC 20:1(11Z)ME64568753480465C0423012.319-
LysoPC(20:2(11Z,14Z))LPC 20:2(11Z,14Z)*ME64568853480465C0423011.65093333-
LysoPC(20:3(5Z,8Z,11Z))LPC 20:3(5Z,8Z,11Z)ME64568953480465C0423011.08623333-
LysoPC(20:4(5Z,8Z,11Z,14Z))LPC 20:4(5Z,8Z,11Z,14Z)*ME64569053480465C0423010.6842-
LysoPE(0:0/14:0)LPE 0:0/14:0ME645691444183-9.9299-
LysoPE(0:0/14:1(9Z))LPE 0:0/14:1(9Z)*ME645692444183-9.740433333-
LysoPE(0:0/16:0)LPE 0:0/16:0ME64569353480922-11.244075-
LysoPE(0:0/16:1(9Z))LPE 0:0/16:1(9Z)ME64569453480923-9.914075-
LysoPE(0:0/18:1(11Z))LPE 0:0/18:1(11Z)ME64569553480924-10.44433333-
LysoPE(0:0/18:2(9Z,12Z))LPE 0:0/18:2(9Z,12Z)*ME64569653480926-10.863625-
LysoPE(0:0/20:1(11Z))LPE 0:0/20:1(11Z)*ME64569753480931-10.972475-
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))LPE 0:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME64569853480938-10.506375-
LysoPE(0:0/22:1(13Z))LPE 0:0/22:1(13Z)*ME64569953480940-11.947275-
Maleic acid homopolymerDimethyl maleateME64570011848C009220.644613333-
Methionine sulfoximineMethionine sulfoximineME64570124755488C035103.5270375-
Methionyl-SerineMet-SerME645702--0.58386625-
Mevalonic acid-5P5-Phosphomevalonic acidME645703439400C011070.57214-
N-(1-Deoxy-1-fructosyl)phenylalanine-ME645704--3.686233333-
N-(1-Deoxy-1-fructosyl)tryptophanN-(1-Deoxy-1-fructosyl)tryptophanME645705--4.811575-
N-(1-Deoxy-1-fructosyl)tyrosine-ME645706--1.105225-
N-(3-Methylbutyl)acetamideN-(3-Methylbutyl)acetamideME64570798643-1.911966667-
N1-AcetylspermidineN1-AcetylspermidineME645708496C006120.585555-
N2-SuccinoylarginineN2-SuccinoylarginineME645709463C068621.26696-
N2-Succinyl-L-ornithineN2-SuccinylornithineME645710127370C034151.32445-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME645711440120C037930.57187-
N6-Carbamoyl-L-threonyladenosineN6-Carbamoyl-L-threonyladenosineME645712161466-5.27725-
N-a-Acetyl-L-arginineN-AcetylarginineME64571367427-0.99233875-
N-AcetylcystathionineN-AcetylcystathionineME645714152314-0.800486667-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME645715439174C001400.647144286-
N-Acetylglutamic acidN-Acetylglutamic acidME64571670914C006241.31395-
N-AcetylglutamineN-AcetylglutamineME64571725561-0.91324-
N-AcetylhistidineN-AcetylhistidineME64571875619C029970.708705-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME64571965065C010421.022783333-
N-Acetyl-L-methionineN-AcetylmethionineME645720448580C027124.349475-
N-AcetylornithineN-AcetylornithineME645721439232C004370.645414286-
N-AcetylserotoninN-AcetylserotoninME645722903C009785.654925-
N-CarbamoylputrescineN-CarbamoylputrescineME645723502C004360.641798571-
NeurineNeurineME64572410042-0.6151825-
N'-FormylkynurenineN-Formyl-L-kynurenineME645725439788C024063.809325-
N-gamma-L-Glutamyl-L-methionineN-gamma-GlutamylmethionineME64572613894652-1.279675-
NiacinamideNiacinamideME645727936C001530.746695-
Niazimin A-ME645728--9.343275-
Nicotinamide ribotideNicotinamide ribotideME64572914180C004550.697905-
Nicotinic acidNicotinic acidME645730938C002530.952535-
N-Isobutyl-2,4,8,10,12-tetradecapentaenamideN-Isobutyl-2,4,8,10,12-tetradecapentaenamideME6457315318518-9.4774-
N-Methylcalystegine C1-ME645732--0.909523333-
NorfuraneolNorfuraneolME6457334564493-2.540457143-
Ophthalmic acidOphthalmic acidME6457347018721-1.232375-
OrnithineOrnithineME6457356262C000770.550706-
Oxitriptan5-Hydroxy-tryptophanME645736439280C006431.402775-
Oxoglutaric acid2-Oxoglutaric acidME64573751C000261.01522-
Palmitoleoyl EthanolamidePalmitoleoyl-EAME6457389835868-11.662825-
PantetheinePantetheineME645739439322C008315.253633333-
Pantothenic acidPantothenic acidME645740988C008644.0573375-
p-Cresol glucuronideP-Cresol glucuronideME645741154035-5.80485-
Pectic acid-ME645742439239C004700.581076667-
PenbutololPenbutololME64574337464C0741610.5415-
PentobarbitalPentobarbitalME6457444737C074221.558-
Phaseolic acidPhaseolic acidME6457455281786C104834.309-
Phenylpyruvic acidPhenylpyruvic acidME645746997C001661.57-
PhlorinPhlorinME64574720055371-0.631225-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME645748151438C134820.58554-
Pipecolic acidPipecolic acidME645749849C004080.5532775-
PiperidinePiperidineME6457508082C017460.53648-
PirbuterolPirbuterolME6457514845C078071.352525-
PorphobilinogenPorphobilinogenME6457521021C009314.0127-
PramipexolePramipexoleME64575359868-5.4935-
Proline betaineProline betaineME645754115244C101720.691754286-
ProlylhydroxyprolinePro-hydroxyProME64575511902892-0.8087125-
PropionylcarnitineCAR 3:0ME645756188824C030172.3267875-
PterinPterinME64575773000C007151.6687-
Pteroside BPteroside BME645758134279-9.244-
PutrescinePutrescineME6457591045C001340.5228575-
Pyridine N-oxide glucuronide-ME645760--8.10565-
PyridoxalPyridoxalME6457611050C002501.07225-
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME6457621051C000181.09615-
Pyroglutamic acidPyroglutamic acidME6457637405C018790.59167-


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
(±)-2-Hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME64576411427-4.05-
(S)-2-Aceto-2-hydroxybutanoic acidAcetohydroxybutyric acidME645765440875C060061.65-
(S)-9-Hydroxy-10-undecenoic acid(S)-9-Hydroxy-10-undecenoic acidME64576610465398-9.07-
1-(sn-Glycero-3-phospho)-1D-myo-inositolsn-Glycero-3-phosphoinositolME64576745480545C012250.55-
1,2,3-Trihydroxybenzene1,2,3-TrihydroxybenzeneME6457681057C011084.5-
11-Hydroxy-9-tridecenoic acid11-Hydroxy-9-tridecenoic acidME64576971333828-10.43-
1H-Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME64577010256C084937.97-
1-Methylguanosine1-MethylguanosineME64577196373C045453.87-
1-Methylinosine1-MethylinosineME64577265095-3.88-
1-Pyrroline-2-carboxylic acid1-Pyrroline-2-carboxylic acidME645773440046C035640.71-
2-(Methylthio)pyrazine2-(Methylthio)pyrazineME645774519907-0.69-
2-Aminobenzoic acid2-Aminobenzoic acidME645775227C001084.78-
2-Aminomuconic acid2-Aminomuconic acidME6457765459864C022201.02-
2-Furoic acid2-Furoic acidME6457776919C015460.65-
2-Hydroxyadipic acid2-Hydroxyadipic acidME645778193530C023600.59-
2-Isopropylmalic acid2-Isopropylmalic acidME64577977C025044.93-
2-Ketobutyric acid3-Methyl pyruvic acidME64578058C001090.61-
2-Keto-glutaramic acid2-Keto-glutaramic acidME64578148C009400.72-
3-(2-Hydroxyphenyl)propanoic acid3-(2-Hydroxyphenyl)propanoic acidME645782873C011986.73-
3-Dehydrocarnitine3-DehydrocarnitineME6457836991982C026364.66-
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid3-Deoxy-D-glycero-D-galacto-2-nonulosonic acidME64578410869261-0.66-
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid-ME64578512313370-3.95-
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME64578686C006323.98-
3-Hydroxyisoheptanoic acid3-Hydroxyisoheptanoic acidME645787193804-7.03-
3-Methyladenine3-MethyladenineME6457881673C009130.89-
3-Methylguanine3-MethylguanineME64578976292C022301.32-
4-Hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME645790599C011270.62-
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME645791135C001564.9-
4-Hydroxybutyric acid4-Hydroxybutyric acidME64579271748914C009891-
4-Hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME645793440731C055956.96-
4-Pyridoxic acid4-Pyridoxic acidME6457946723C008472.48-
5-Aminolevulinic acid5-Amino-levulinic acidME645795137C004301.02-
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid5-Hexyltetrahydro-2-oxo-3-furancarboxylic acidME64579610375946-9.14-
5-Hydroxyisourate5-Hydroxyisouric acidME645797250388C118211.09-
5-L-Glutamyl-L-alaninegamma-GlutamylalanineME645798440103C037401.04-
5'-Methylthioadenosine5'-MethylthioadenosineME645799439176C001704.81-
5-Thymidylic aciddTMPME6458009700C003641.57-
7-Aminomethyl-7-carbaguanine7-Aminomethyl-7-carbaguanineME645801171C166753.46-
7-Methylxanthine7-MethylxanthineME64580268374C163532.31-
8-Hydroxy-7-methylguanine8-Hydroxy-7-methylguanineME645803308075-1.26-
8-Hydroxyguanine8-HydroxyguanineME64580465154C201550.87-
Acaciabiuronic acid-ME645805--0.61-
AdenineAdenineME645806190C001470.95-
AdenosineAdenosineME64580760961C002123.38-
Adenosine monophosphateAMPME6458086083C000200.94-
Alanyl-IsoleucineAla-IleME645809--1.05-
Allantoic acidAllantoic acidME645810203C004990.6-
AllantoinAllantoinME645811204C015510.56-
AllocystathionineAllocystathionineME64581210104953C005420.57-
AllysineAllysineME645813207C014752.11-
Alpha-ketoisovaleric acidKetoisovaleric acidME64581449C001411.2-
Alpha-N-Phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME64581592258C041485.6-
Aminoadipic acidAminoadipic acidME645816469C009562.22-
Arabinonic acidArabinonic acidME645817122045C008780.6-
Arachidonic acidArachidonic acidME645818444899C0021912.78-
ascr1-ME645819--7.11-
ascr10-ME645820--8.81-
ascr11-ME645821--4.29-
ascr18-ME645822--9.38-
ascr5-ME645823--3.46-
ascr7-ME645824--6.76-
beta-D-3-Ribofuranosyluric acid3-(beta-D-Ribofuranosyl)uric acidME645825164933C055133.9-
beta-D-Glucopyranosyl anthranilate-ME645826--4.47-
BiotinBiotinME645827171548C001206.22-
Butyric acidButyric acidME64582820975673C002462.55-
CDP-EthanolamineCDP-EthanolamineME645829123727C005700.62-
cis-Aconitic acidcis-Aconitic acidME645830643757C004170.7-
Citramalic acidCitramalic acidME6458311081C008151-
Citric acidCitric acidME645832311C001580.62-
Cyclic AMP3',5' cyclic AMPME6458336076C005751.49-
Cyclic GMP3',5' cyclic GMPME64583424316C009421.74-
CytidineCytidineME6458356175C004750.94-
Cytidine 2',3'-cyclic phosphate2',3' cyclic CMPME64583653481030-0.71-
Cytidine monophosphateCMPME6458376131C000550.7-
dCMPdCMPME64583813945C002390.84-
Decarbamoylgonyautoxin IIIDecarbamoylgonyautoxin IIIME64583953461858-0.71-
Deoxyadenosine monophosphatedAMPME64584012599C003601.25-
DeoxyriboseDeoxyriboseME6458419828112C018010.99-
D-Erythrose 4-phosphateErythrose 4-phosphateME645842122357C002790.92-
D-GlucoseGlucoseME6458435793C000310.6-
DiacetylDiacetylME645844650C007410.69-
Diaminopimelic acidDiaminopimelic acidME645845865C006660.68-
DihydrothymineDihydrothymineME64584693556C009060.58-
Dimethyl fukiic acid-ME645847--4.28-
Dipropyl disulfideDipropyl disulfideME64584812377C083731.9-
D-Leucic acidD-Leucic acidME645849439960C032645.9-
D-Ribulose 5-phosphateRibulose 5-phosphateME645850439184C001170.58-
ErythroseErythroseME64585194176C017960.6-
FagomineFagomineME64585272259C101444.03-
Flavin MononucleotideFMNME645853643976C000615.68-
Formiminoglutamic acidFormiminoglutamic acidME645854439233C004390.65-
Fructose 6-phosphateFructose 6-phosphateME64585569507C000850.56-
Fucose 1-phosphateFucose 1-phosphateME645856439871C029850.59-
Fumaric acidFumaric acidME645857444972C001220.58-
GalactosylglycerolGalactosylglycerolME645858656504C054010.69-
Gamma Glutamylglutamic acidgamma-Glutamylglutamic acidME64585992865C052820.82-
Gamma-Aminobutyric acidgamma-Aminobutyric acidME645860119C003340.61-
Garcinia acidGarcinia acidME645861185620-0.61-
Gluconic acidGluconic acidME64586210690C002570.59-
Glucosamine 6-phosphateGlucosamine 6-phosphateME645863439217C003520.62-
Glutaric acidGlutaric acidME645864743C004892.55-
GlutathioneGlutathioneME645865124886C000510.96-
Glycerol tributanoateTG 4:0/4:0/4:0ME6458666050C138708.69-
Glycerylphosphorylethanolaminesn-Glycero-3-phosphoethanolamineME64586722833510C012330.59-
Glycyl-L-leucineGly-LeuME64586892843C021550.93-
GlycylprolineGly-ProME6458693013625-0.67-
GuanineGuanineME645870764C002420.94-
GuanosineGuanosineME6458716802C003872.84-
Guanosine monophosphateGMPME6458726804C001441-
HistamineHistamineME645873774C003880.71-
Homocysteinesulfinic acidHomocysteinesulfinic acidME645874161712-0.69-
Hydantoin-5-propionic acidHydantoin-5-propionic acidME645875782C055651.37-
Hydroxyphenyllactic acidHydroxyphenyllactic acidME6458769378C036724.6-
Hydroxyprolyl-Valine-ME645877--3.95-
HypoxanthineHypoxanthineME645878790C002621.16-
icas9-ME645879--9.28-
IfosfamideIfosfamideME6458803690C070470.57-
Ilicifolinoside A-ME645881--3.64-
Imidazoleacetic acid ribosideImidazoleacetic acid ribosideME645882440569C051313.64-
InosineInosineME6458836021C002942.76-
Inositol cyclic phosphateInositol cyclic phosphateME645884122331C042990.56-
Isoleucyl-TyrosineIle-TyrME6458857408194-6.15-
Isopentenyl pyrophosphateIsopentenyl-diphosphateME6458861195C001291.71-
Isopropyl citrate-ME64588761986-4.01-
IsoxanthopterinIsoxanthopterinME64588810729C039751.83-
Itaconic acidItaconic acidME645889811C004900.64-
KetoleucineKetoleucineME64589070C002334.33-
L-AcetopineL-AcetopineME64589122675590-0.78-
L-AcetylcarnitineCAR 2:0ME6458921C025716.96-
L-ArginineArginineME6458936322C000620.58-
L-AsparagineAsparagineME6458946267C001520.57-
L-Aspartate-semialdehydeAspartate-semialdehydeME645895439235C004411.21-
L-Aspartic acidAspartic acidME6458965960C000490.76-
L-CoprineCoprineME6458974479242C082711.49-
L-Glutamic acidGlutamic acidME64589833032C000250.66-
L-GlutamineGlutamineME6458995961C000640.58-
L-HistidineHistidineME6459006274C001350.57-
L-LeucineLeucineME6459016106C001231.54-
L-L-Homoglutathione-ME6459023375152-1.66-
L-LysineLysineME6459035962C000470.55-
L-Malic acidMalic acidME645904222656C001490.82-
L-MethionineMethionineME6459056137C000731-
LotaustralinLotaustralinME6459064626626C083341.45-
L-PhenylalaninePhenylalanineME6459076140C000793.39-
L-ProlineProlineME645908145742C001480.66-
L-ThreonineThreonineME6459096288C001880.6-
L-TryptophanTryptophanME6459106305C000784.68-
L-TyrosineTyrosineME6459116057C000821.57-
L-ValineValineME6459126287C001830.67-
LysoPC(14:0)LPC 14:0ME645913460604C0423011.37-
LysoPC(14:1(9Z))LPC 14:1(9Z)ME64591453480465C0423010.35-
LysoPC(15:0)LPC 15:0ME64591553480465C0423012.16-
LysoPE(0:0/14:0)LPE 0:0/14:0ME645916444183-9.97-
LysoPE(0:0/14:1(9Z))LPE 0:0/14:1(9Z)*ME645917444183-9.76-
LysoPE(0:0/15:0)LPE 0:0/15:0*ME64591853480921-10.13-
LysoPE(0:0/16:0)LPE 0:0/16:0ME64591953480922-11.24-
LysoPE(0:0/16:1(9Z))LPE 0:0/16:1(9Z)ME64592053480923-10.11-
LysoPE(0:0/18:1(11Z))LPE 0:0/18:1(11Z)ME64592153480924-11.2-
LysoPE(0:0/18:2(9Z,12Z))LPE 0:0/18:2(9Z,12Z)*ME64592253480926-10.74-
LysoPE(0:0/20:2(11Z,14Z))LPE 0:0/20:2(11Z,14Z)*ME64592353480932-11.52-
LysoPE(0:0/20:3(11Z,14Z,17Z))LPE 0:0/20:3(11Z,14Z,17Z)*ME64592453480933-11.12-
LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))LPE 0:0/20:4(5Z,8Z,11Z,14Z)*ME64592553480936-10.66-
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))LPE 0:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME64592653480938-10.45-
MannitolMannitolME6459276251C003920.6-
MetaxaloneMetaxaloneME64592815459C079348.35-
Methionyl-SerineMet-SerME645929--0.58-
MethylpyrazineMethylpyrazineME6459307976-1.08-
Mevalonic acidMevalonic acidME645931439230C004181.6-
N-(1-Deoxy-1-fructosyl)methionine-ME645932--1.69-
N-(1-Deoxy-1-fructosyl)phenylalanine-ME645933--3.61-
N-(1-Deoxy-1-fructosyl)tyrosine-ME645934--1.11-
N2-Succinyl-L-ornithineN2-SuccinylornithineME645935127370C034151.32-
N6-Carbamoyl-L-threonyladenosineN6-Carbamoyl-L-threonyladenosineME645936161466-5.28-
N-a-Acetyl-L-arginineN-AcetylarginineME64593767427-0.99-
N-AcetylcystathionineN-AcetylcystathionineME645938152314-0.8-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME645939439174C001400.65-
N-Acetylglutamic acidN-Acetylglutamic acidME64594070914C006241.31-
N-AcetylglutamineN-AcetylglutamineME64594125561-0.91-
N-AcetylhistamineN-AcetylhistamineME64594225561C051350.7-
N-AcetylhistidineN-AcetylhistidineME64594375619C029970.72-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME64594465065C010420.94-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME64594574839C035197.15-
N-Acetyl-L-tyrosineN-AcetyltyrosineME64594689216C016574.86-
N-AcetylornithineN-AcetylornithineME645947439232C004370.7-
NebularineNebularineME64594868368C017363.37-
N'-FormylkynurenineN-Formyl-L-kynurenineME645949439788C024063.81-
N-gamma-L-Glutamyl-L-methionineN-gamma-GlutamylmethionineME64595013894652-1.28-
N-Gluconyl ethanolamine phosphateN-Gluconyl ethanolamine phosphateME64595171587802-0.62-
Nicotinic acidNicotinic acidME645952938C002530.95-
N-Methylcalystegine C1-ME645953--0.91-
NorfuraneolNorfuraneolME6459544564493-0.6-
OctafluorocyclobutaneOctafluorocyclobutaneME6459558263-1.2-
Ophthalmic acidOphthalmic acidME6459567018721-1.24-
OrnithineOrnithineME6459576262C000770.54-
Orotic acidOrotic acidME645958967C002950.74-
Oxitriptan5-Hydroxy-tryptophanME645959439280C006431.4-
Oxoadipic acidOxoadipic acidME64596071C003221.2-
Oxoglutaric acid2-Oxoglutaric acidME64596151C000260.58-
PantetheinePantetheineME645962439322C008315.26-
Pantothenic acidPantothenic acidME645963988C008644.06-
Pectic acid-ME645964445929C004700.59-
Phaseolic acidPhaseolic acidME6459655281786C104836.01-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME645966151438C134820.58-
Pimelic acidPimelic acidME645967385C026563.38-
Polyethylene glycol-ME64596825244029C010927.69-
PorphobilinogenPorphobilinogenME6459691021C009314.02-
Prenyl glucosidePhellamurinME645970193876C098085.01-
ProlylhydroxyprolinePro-hydroxyProME64597111902892-0.82-
PrunasinPrunasinME645972576072C008447.31-
PterinPterinME64597373000C007151.67-
Pyridine N-oxide glucuronide-ME645974--4.68-
PyridoxalPyridoxalME6459751050C002501.07-
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME6459761051C000181.09-
Pyroglutamic acidPyroglutamic acidME6459777405C018790.61-
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME64597812473C059423.86-
Retinyl esterRetinyl esterME6459795460164C0207512.29-
RiboflavinRiboflavinME645980493570C002556.34-
SaccharopineSaccharopineME645981160556C004490.59-
S-AdenosylhomocysteineS-AdenosylhomocysteineME645982439155C000212.23-
SarmentosinSarmentosinME6459835281123C083403.55-
S-Carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME645984193653C037270.66-
Sebacic acidSebacic acidME6459855192C082776.72-
SepiapterinSepiapterinME6459865200C008351.74-
Succinic acidSuccinic acidME6459871110C000420.85-
Succinic anhydrideSuccinic anhydrideME6459887922C195240.7-
SuccinyladenosineSuccinyladenosineME6459895957C000024.27-
SucroseSucroseME6459905988C000890.64-
TetrahydropentoxylineTetrahydropentoxylineME645991192669-3.63-
Thiomorpholine 3-carboxylateThiomorpholine-3-carboxylic acidME645992440159C039010.9-
Threonic acidThreonic acidME645993151152C016200.62-
Tiglic acidTiglic acidME6459946656C082794.09-
trans-Cinnamic acidtrans-Cinnamic acidME6459953920069C004233.37-
Undecanedioic acidUndecanedioic acidME64599615816-9.3-
UracilUracilME6459971174C001060.74-
Ureidosuccinic acidN-Carbamoylaspartic acidME645998279C004380.74-
Uric acidUric acidME6459991175C003661.11-
UridineUridineME6460006029C002990.91-
Uridine 2',3'-cyclic phosphate2',3' cyclic UMPME646001439715C023550.95-
Uridine 5'-monophosphateUMPME6460026030C001050.76-
Uridine diphosphate glucoseUDP-glucoseME64600353477679C000290.76-
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME646004445675C000430.67-
Urocanic acidUrocanic acidME646005736715C007851.08-
VinylacetylglycineVinylacetylglycineME64600653477718-0.66-
WybutoxineWybutoxineME646007193232-7.51-
XanthineXanthineME6460081188C003851.38-
XanthosineXanthosineME64600964959C017623.64-
ZalcitabineZalcitabineME64601024066C072070.85-


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