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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
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME082296535C012348.6102.06
2,6-Diaminoheptanedioate2,6-Diaminopimelic acidME082297439283C006667.9191.10
2-Aminomuconate2-Aminomuconic acidME0822985459864C0222010.9158.05
2-Aminophenol2-AminophenolME0822995801C019879.5110.06
2-Deoxy-ribose2-Deoxy-riboseME08230046173726C0417528.5135.07
2-OxoadipateOxoadipic acidME08230171C0032222.9161.04
2-Oxobutanoate3-Methyl pyruvic acidME08230258C001098.6103.04
2-OxoglutarateOxoglutaric acidME08230351C000267.5147.03
3-Phospho-glycerate3-Phosphoglyceric acidME082304724C001977.9187.00
3-Phospho-glyceroyl phosphate3-Phospho-D-glyceroyl dihydrogen phosphateME082305439191C0023637.7266.97
4-Aminobutyraldehyde4-AminobutyraldehydeME082306118C005557.488.08
4-Hydroxybenzoate4-Hydroxybenzoic acidME082307135C0015611.8139.04
5,6-DihydrouracilDihydrouracilME082308649C0042914.2115.05
5-Aminoimidazole5-AminoimidazoleME082309484C052396.784.06
5-Hydroxy-tryptophan5-Hydroxy-tryptophanME082310439280C006434.9221.09
5'-Methylthioadenosine5'-MethylthioadenosineME082311439176C0017018.3298.10
5-Phosphoribosylamine5-PhosphoribosylamineME082312439905C030904.8230.04
6-Phospho-gluconate6-Phosphogluconic acidME08231391493C0034518.7277.03
7,8-Diaminononanoate7,8-Diaminononanoic acidME082314652C0103714.2189.16
AcetateAcetic acidME082315176C000334.860.03
Acetyl phosphateAcetylphosphateME082316186C002274.6138.98
AcrylamideAcrylamideME0823176579C016595.172.05
AcrylateAcrylic acidME0823186581C0051124.773.03
AcrylonitrileAcrylonitrileME0823197855C019984.854.03
AdenineAdenineME082320190C0014711.3136.06
AdenosineAdenosineME08232160961C0021213.2268.10
AdenylylselenateAdenylylselenateME082322440758C0568618.9475.97
ADPADPME0823236022C000080.3426.02
AgmatineAgmatineME082324199C001794.2131.13
AlanineAlanineME0823255950C000416.890.06
AminoacetoneAminoacetoneME082326215C0188823.274.06
AMPAMPME0823276083C0002014.8348.07
Anthranilate2-Aminobenzoic acidME082328227C001087.8138.06
ArginineArginineME0823296322C000624.1175.12
ArogenateArogenic acidME082330439319C0082617.7228.09
AspartateAspartic acidME0823315960C000495.5134.05
ATPATPME0823325957C0000220.2508.00
BarbiturateBarbituric acidME0823336211C008134.4129.03
BenzoateBenzoic acidME082334243C0018011.2123.04
beta-Alanyl arginine-ME082335440637C0534021.4246.16
BiotinBiotinME082336171548C0012021.3245.10
CarnitineCarnitineME082337288C0031815.9162.11
CatecholPyrocatecholME082338289C000907.9111.04
CDPCDPME0823396132C0011234.0404.03
CDP-glucoseCDP-glucoseME082340439244C0050122.4566.08
ChitobioseN,N'-DiacetylchitobioseME082341439544C0167429.9425.18
CholineCholineME082342305C001144.2105.11
ChorismateChorismic acidME08234312039C0025112.2227.06
CitrateCitric acidME082344311C001584.0191.02
CitrullineCitrullineME0823459750C0032715.5176.10
CMPCMPME0823466131C000559.7324.06
CTPCTPME0823476176C0006326.2483.99
CystathionineCystathionineME082348439258C005424.4223.08
CysteineCysteineME082349594C0009710.6122.03
CytidineCytidineME0823506175C0047525.8244.09
CytosineCytosineME082351597C0038010.0112.05
dADPdADPME082352188966C002061.1410.03
dATPdATPME08235315993C0013119.5489.99
dCDPdCDPME082354150855C0070517.5386.02
DeoxyadenosineDeoxyadenosineME08235513730C005599.6252.11
DeoxycytidineDeoxycytidineME08235613711C0088117.7228.10
dIDPdIDPME082357439488C0134423.2413.03
Dihydroorotate4,5-Dihydroorotic acidME082358439216C003374.8159.04
dTMPdTMPME0823599700C0036421.3323.06
dUMPdUMPME08236065063C0036525.7309.05
Erythrose 4-PhosphateErythrose 4-phosphateME082361122357C0027918.3201.02
FADFADME082362643975C0001616.2786.17
FMNFMNME082363643976C0006120.3457.11
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME082364172313C0035421.5338.99
Fructose 6-phosphateFructose 6-phosphateME08236569507C0008515.6259.02
FumarateFumaric acidME082366444972C001225.9115.01
GABAgamma-Aminobutyric acidME082367119C003344.2104.07
Geranylgeranyl diphosphateGeranylgeranyl diphosphateME082368447277C003533.9451.20
GlucarateGlucaric acidME08236933037C0081819.6209.03
GluconateGluconic acidME08237010690C0025716.4197.07
GlucosamineGlucosamineME082371441477C003294.9180.09
Glucosamine 6-phosphateGlucosamine 6-phosphateME082372440997C0035228.0260.05
GlucoseGlucoseME0823735793C0003122.0179.06
GlucuronateGlucuronic acidME08237494715C001914.0195.05
GlutamateGlutamic acidME08237533032C000255.6148.06
GlutathioneGlutathioneME082376124886C0005119.2308.09
GlycerolGlycerolME082377753C001168.193.06
GlyceroneDihydroxyacetoneME082378670C001845.489.02
Glycerone phosphateDihydroxyacetone phosphateME082379668C001114.3171.01
GlycineGlycineME082380750C000376.176.04
GlycolateGlycolic acidME082381757C001607.977.02
GlyoxylateGlyoxylic acidME082382760C000484.375.01
GMPGMPME0823836804C0014412.2362.05
GuanineGuanineME082384764C002428.6152.06
GuanosineGuanosineME0823856802C0038713.0284.10
HistidineHistidineME0823866274C0076829.1156.08
HomocysteineHomocysteineME082387778C0533013.0136.04
HypoxanthineHypoxanthineME082388790C002628.5137.05
IDPIDPME0823896831C0010430.0429.02
IMPIMPME0823908582C0013015.9349.05
InosineInosineME0823916021C0029413.3269.09
Isopentenyl diphosphateIsopentenyl-diphosphateME0823921195C0012917.6247.01
LactateLactic acidME082393107689C001866.189.02
LeucineLeucineME0823946106C001237.8132.10
LipoateLipoic acidME082395864C0072516.9207.05
MalateMalic acidME082396222656C001495.8133.02
MannitolMannitolME0823976251C003928.2183.09
Mannitol 1-PhosphateMannitol 1-phosphateME082398130418C0064418.8263.05
MethionineMethionineME0823996137C0007324.9150.06
MevalonateMevalonic acidME082400439230C004188.6149.08
N-Acetyl-glucosamineN-Acetyl-D-glucosamineME082401439174C001405.6222.09
N-Acetyl-glutamateN-Acetylglutamic acidME08240270914C0062415.9190.07
NicotinamideNiacinamideME082403936C0015311.0123.06
Nicotinamide ribonucleotideNicotinamide ribotideME08240414180C0045512.3335.06
O-Phospho-homoserineO-PhosphohomoserineME082405151187C011024.8200.03
O-Phospho serinePhosphoserineME08240668841C0100520.6186.02
OrotateOrotic acidME082407967C002954.7157.03
Pantetheine 4'-phosphatePantetheine 4'-phosphateME082408987C011345.1357.09
PhenylacetaldehydePhenylacetaldehydeME082409998C006013.6121.07
PhenylalaninePhenylalanineME0824106140C0007913.9166.09
PhenylpyruvatePhenylpyruvic acidME082411997C001668.1165.06
PhosphoenolpyruvatePhosphoenolpyruvic acidME0824121005C0007411.9168.99
ProlineProlineME082413145742C0014837.5116.07
Propionyl-CoAPropionyl-CoAME08241492753C0010021.2824.15
PyruvatePyruvic acidME0824151060C000227.989.02
RaffinoseRaffinoseME082416439242C0049224.1505.18
RiboflavinRiboflavinME082417493570C002555.4377.15
RiboseRiboseME0824185779C0012111.1151.06
Ribose 5-phosphateRibose 5-phosphateME082419439167C001173.7231.03
S-Adenosyl-homocysteineS-AdenosylhomocysteineME082420439155C0002125.2385.13
S-Adenosyl-methionineS-AdenosylmethionineME08242134755C0001921.6399.15
Sedoheptulose 1,7-bisphosphateSedoheptulose 1,7-bisphosphateME082422164735C0044711.0371.01
SerineSerineME0824235951C000654.4106.05
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME082424439162C000933.1173.02
SuccinateSuccinic acidME0824251110C000425.9117.02
Tetrahydrofolate6R-Tetrahydrofolic acidME08242691443C0010130.0446.18
Thiamin diphosphateThiamine diphosphateME0824271132C0006829.2424.04
ThreonineThreonineME0824286288C0018811.8120.08
ThymidineThymidineME0824295789C0021426.0241.08
ThymineThymineME0824301135C001784.7127.05
TryptophanTryptophanME0824316305C0007812.8205.10
TyrosineTyrosineME0824326057C000828.1182.08
UDPUDPME0824336031C0001519.6405.01
UMPUMPME0824346030C0010511.7323.03
ValineValineME0824356287C001834.1118.09
XMPXMPME08243673323C0065512.7363.03
XylitolXylitolME0824376912C003798.0153.08


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