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Analysis: LC/MS positive/negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
ATPATPME6810815957C0000220.2508
ADPADPME6810726022C000080.3426.02
UDPUDPME6811826031C0001519.6405.01
FADFADME681111643975C0001616.2786.17
S-Adenosyl-methionineS-AdenosylmethionineME68117034755C0001921.6399.15
AMPAMPME6810766083C0002014.8348.07
S-Adenosyl-homocysteineS-AdenosylhomocysteineME681169439155C0002125.2385.13
PyruvatePyruvic acidME6811641060C000227.989.02
GlutamateGlutamic acidME68112433032C000255.6148.06
2-Oxoglutarate2-Oxoglutaric acidME68105251C000267.5147.03
GlucoseGlucoseME6811225793C0003122179.06
AcetateAcetic acidME681064176C000334.860.03
GlycineGlycineME681129750C000376.176.04
AlanineAlanineME6810745950C000416.890.06
SuccinateSuccinic acidME6811741110C000425.9117.02
GlyoxylateGlyoxylic acidME681131760C000484.375.01
AspartateAspartic acidME6810805960C000495.5134.05
GlutathioneGlutathioneME681125124886C0005119.2308.09
CMPCMPME6810956131C000559.7324.06
FMNFMNME681112643976C0006120.3457.11
ArginineArginineME6810786322C000624.1175.12
CTPCTPME6810966176C0006326.2483.99
SerineSerineME6811725951C000654.4106.05
Thiamin diphosphateThiamine diphosphateME6811761132C0006829.2424.04
MethionineMethionineME6811486137C0007324.9150.06
PhosphoenolpyruvatePhosphoenolpyruvic acidME6811611005C0007411.9168.99
TryptophanTryptophanME6811806305C0007812.8205.1
PhenylalaninePhenylalanineME6811596140C0007913.9166.09
TyrosineTyrosineME6811816057C000828.1182.08
Fructose 6-phosphateFructose 6-phosphateME68111469507C0008515.6259.02
CatecholPyrocatecholME681087289C000907.9111.04
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME681173439162C000933.1173.02
CysteineCysteineME681098594C0009710.6122.03
Propionyl-CoAPropionyl-CoAME68116392753C0010021.2824.15
TetrahydrofolateTHFME68117591443C0010130446.18
IDPIDPME6811386831C0010430429.02
UMPUMPME6811836030C0010511.7323.03
Anthranilate2-Aminobenzoic acidME681077227C001087.8138.06
2-Oxobutanoate3-Methyl pyruvic acidME68105158C001098.6103.04
Glycerone phosphateDihydroxyacetone phosphateME681128668C001114.3171.01
CDPCDPME6810886132C0011234404.03
CholineCholineME681091305C001144.2105.11
GlycerolGlycerolME681126753C001168.193.06
Ribose 5-phosphateRibose 5-phosphateME681168439167C001173.7231.03
BiotinBiotinME681085171548C0012021.3245.1
RiboseRiboseME6811675779C0012111.1151.06
FumarateFumaric acidME681115444972C001225.9115.01
LeucineLeucineME6811436106C001237.8132.1
Isopentenyl diphosphateIsopentenyl-diphosphateME6811411195C0012917.6247.01
IMPIMPME6811398582C0013015.9349.05
dATPdATPME68110215993C0013119.5489.99
N-Acetyl-glucosamineN-Acetyl-D-glucosamineME681150439174C001405.6222.09
GMPGMPME6811326804C0014412.2362.05
AdenineAdenineME681069190C0014711.3136.06
ProlineProlineME681162145742C0014837.5116.07
MalateMalic acidME681145222656C001495.8133.02
NicotinamideNiacinamideME681152936C0015311123.06
4-Hydroxybenzoate4-Hydroxybenzoic acidME681056135C0015611.8139.04
CitrateCitric acidME681093311C001584191.02
GlycolateGlycolic acidME681130757C001607.977.02
PhenylpyruvatePhenylpyruvic acidME681160997C001668.1165.06
5'-Methylthioadenosine5'-MethylthioadenosineME681060439176C0017018.3298.1
ThymineThymineME6811791135C001784.7127.05
AgmatineAgmatineME681073199C001794.2131.13
BenzoateBenzoic acidME681083243C0018011.2123.04
ValineValineME6811846287C001834.1118.09
GlyceroneDihydroxyacetoneME681127670C001845.489.02
LactateLactic acidME681142107689C001866.189.02
ThreonineThreonineME6811776288C0018811.8120.08
GlucuronateGlucuronic acidME68112394715C001914195.05
3-Phospho-glycerate3-Phosphoglyceric acidME681053724C001977.9187
dADPdADPME681101188966C002061.1410.03
AdenosineAdenosineME68107060961C0021213.2268.1
ThymidineThymidineME6811785789C0021426241.08
Acetyl phosphateAcetylphosphateME681065186C002274.6138.98
3-Phospho-glyceroyl phosphate3-Phospho-D-glyceroyl dihydrogen phosphateME681054439191C0023637.7266.97
GuanineGuanineME681133764C002428.6152.06
ChorismateChorismic acidME68109212039C0025112.2227.06
RiboflavinRiboflavinME681166493570C002555.4377.15
GluconateGluconic acidME68111910690C0025716.4197.07
HypoxanthineHypoxanthineME681137790C002628.5137.05
Erythrose 4-PhosphateErythrose 4-phosphateME681110122357C0027918.3201.02
InosineInosineME6811406021C0029413.3269.09
OrotateOrotic acidME681156967C002954.7157.03
CarnitineCarnitineME681086288C0031815.9162.11
2-OxoadipateOxoadipic acidME68105071C0032222.9161.04
CitrullineCitrullineME6810949750C0032715.5176.1
GlucosamineGlucosamineME681120441477C003294.9180.09
GABAgamma-Aminobutyric acidME681116119C003344.2104.07
Dihydroorotate4,5-Dihydroorotic acidME681107439216C003374.8159.04
6-Phospho-gluconate6-Phosphogluconic acidME68106291493C0034518.7277.03
Glucosamine 6-phosphateGlucosamine 6-phosphateME681121440997C0035228260.05
Geranylgeranyl diphosphateGeranylgeranyl diphosphateME681117447277C003533.9451.2
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME681113172313C0035421.5338.99
dTMPdTMPME6811089700C0036421.3323.06
dUMPdUMPME68110965063C0036525.7309.05
XylitolXylitolME6811866912C003798153.08
CytosineCytosineME681100597C0038010112.05
GuanosineGuanosineME6811346802C0038713284.1
MannitolMannitolME6811466251C003928.2183.09
MevalonateMevalonic acidME681149439230C004188.6149.08
5,6-DihydrouracilDihydrouracilME681057649C0042914.2115.05
Sedoheptulose 1,7-bisphosphateSedoheptulose 1,7-bisphosphateME681171164735C0044711371.01
Nicotinamide ribonucleotideNicotinamide ribotideME68115314180C0045512.3335.06
CytidineCytidineME6810996175C0047525.8244.09
RaffinoseRaffinoseME681165439242C0049224.1505.18
CDP-glucoseCDP-glucoseME681089439244C0050122.4566.08
AcrylateAcrylic acidME6810676581C0051124.773.03
CystathionineCystathionineME681097439258C005424.4223.08
4-Aminobutyraldehyde4-AminobutyraldehydeME681055118C005557.488.08
DeoxyadenosineDeoxyadenosineME68110413730C005599.6252.11
PhenylacetaldehydePhenylacetaldehydeME681158998C006013.6121.07
N-Acetyl-glutamateN-Acetylglutamic acidME68115170914C0062415.9190.07
5-Hydroxy-tryptophan5-Hydroxy-tryptophanME681059439280C006434.9221.09
Mannitol 1-PhosphateMannitol 1-phosphateME681147130418C0064418.8263.05
XMPXMPME68118573323C0065512.7363.03
2,6-Diaminoheptanedioate2,6-Diaminopimelic acidME681046439283C006667.9191.1
dCDPdCDPME681103150855C0070517.5386.02
LipoateLipoic acidME681144864C0072516.9207.05
HistidineHistidineME6811356274C0076829.1156.08
BarbiturateBarbituric acidME6810826211C008134.4129.03
GlucarateGlucaric acidME68111833037C0081819.6209.03
ArogenateArogenic acidME681079439319C0082617.7228.09
DeoxycytidineDeoxycytidineME68110513711C0088117.7228.1
O-Phospho serineDL-O-PhosphoserineME68115568841C0100520.6186.02
7,8-Diaminononanoate7,8-Diaminononanoic acidME681063652C0103714.2189.16
O-Phospho-homoserineO-PhosphohomoserineME681154151187C011024.8200.03
Pantetheine 4'-phosphatePantetheine 4'-phosphateME681157987C011345.1357.09
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME681045535C012348.6102.06
dIDPdIDPME681106439488C0134423.2413.03
AcrylamideAcrylamideME6810666579C016595.172.05
ChitobioseN,N'-DiacetylchitobioseME681090439544C0167429.9425.18
AminoacetoneAminoacetoneME681075215C0188823.274.06
2-Aminophenol2-AminophenolME6810485801C019879.5110.06
AcrylonitrileAcrylonitrileME6810687855C019984.854.03
2-Aminomuconate2-Aminomuconic acidME6810475459864C0222010.9158.05
5-Phosphoribosylamine5-PhosphoribosylamineME681061439905C030904.8230.04
2-Deoxy-ribose2-Deoxy-riboseME68104946173726C0417528.5135.07
5-Aminoimidazole5-AminoimidazoleME681058484C052396.784.06
HomocysteineHomocysteineME681136778C0533013136.04
beta-Alanyl argininebeta-Alanyl-L-arginineME681084440637C0534021.4246.16
AdenylylselenateAdenylylselenateME681071440758C0568618.9475.97


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