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Analysis: GC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
a-ketoglutarate _M+002-Oxoglutaric acidME382311---146.0215
a-ketoglutarate _M+012-Oxoglutaric acidME382312---146.0215
a-ketoglutarate _M+022-Oxoglutaric acidME382313---146.0215
a-ketoglutarate _M+032-Oxoglutaric acidME382314---146.0215
a-ketoglutarate _M+042-Oxoglutaric acidME382315---146.0215
a-ketoglutarate _M+052-Oxoglutaric acidME382316---146.0215
a-ketoglutarate _M+062-Oxoglutaric acidME382317---146.0215
a-ketoglutarate _M+072-Oxoglutaric acidME382318---146.0215
a-ketoglutarate _M+082-Oxoglutaric acidME382319---146.0215
alanine_M+00AlanineME382223---89.0477
alanine_M+01AlanineME382224---89.0477
alanine_M+02AlanineME382225---89.0477
alanine_M+03AlanineME382226---89.0477
alanine_M+04AlanineME382227---89.0477
alanine_M+05AlanineME382228---89.0477
alanine_M+06AlanineME382229---89.0477
asparagine_M+00AsparagineME382380---132.0535
asparagine_M+01AsparagineME382381---132.0535
asparagine_M+02AsparagineME382382---132.0535
asparagine_M+03AsparagineME382383---132.0535
asparagine_M+04AsparagineME382384---132.0535
asparagine_M+05AsparagineME382385---132.0535
asparagine_M+06AsparagineME382386---132.0535
asparagine_M+07AsparagineME382387---132.0535
aspartic acid_M+00Aspartic acidME382349---133.0375
aspartic acid_M+01Aspartic acidME382350---133.0375
aspartic acid_M+02Aspartic acidME382351---133.0375
aspartic acid_M+03Aspartic acidME382352---133.0375
aspartic acid_M+04Aspartic acidME382353---133.0375
aspartic acid_M+05Aspartic acidME382354---133.0375
aspartic acid_M+06Aspartic acidME382355---133.0375
aspartic acid_M+07Aspartic acidME382356---133.0375
citric acid_M+00Citric acidME382417---192.027
citric acid_M+01Citric acidME382418---192.027
citric acid_M+02Citric acidME382419---192.027
citric acid_M+03Citric acidME382420---192.027
citric acid_M+04Citric acidME382421---192.027
citric acid_M+05Citric acidME382422---192.027
citric acid_M+06Citric acidME382423---192.027
citric acid_M+07Citric acidME382424---192.027
citric acid_M+08Citric acidME382425---192.027
citric acid_M+09Citric acidME382426---192.027
cysteine_M+00CysteineME382357---121.0198
cysteine_M+01CysteineME382358---121.0198
cysteine_M+02CysteineME382359---121.0198
cysteine_M+03CysteineME382360---121.0198
cysteine_M+04CysteineME382361---121.0198
cysteine_M+05CysteineME382362---121.0198
cysteine_M+06CysteineME382363---121.0198
fumarate_M+00Fumaric acidME382278---116.011
fumarate_M+01Fumaric acidME382279---116.011
fumarate_M+02Fumaric acidME382280---116.011
fumarate_M+03Fumaric acidME382281---116.011
fumarate_M+04Fumaric acidME382282---116.011
fumarate_M+05Fumaric acidME382283---116.011
fumarate_M+06Fumaric acidME382284---116.011
fumarate_M+07Fumaric acidME382285---116.011
glutamic acid_M+00Glutamic acidME382371---147.0532
glutamic acid_M+01Glutamic acidME382372---147.0532
glutamic acid_M+02Glutamic acidME382373---147.0532
glutamic acid_M+03Glutamic acidME382374---147.0532
glutamic acid_M+04Glutamic acidME382375---147.0532
glutamic acid_M+05Glutamic acidME382376---147.0532
glutamic acid_M+06Glutamic acidME382377---147.0532
glutamic acid_M+07Glutamic acidME382378---147.0532
glutamic acid_M+08Glutamic acidME382379---147.0532
glutamine_M+00GlutamineME382398---146.0691
glutamine_M+01GlutamineME382399---146.0691
glutamine_M+02GlutamineME382400---146.0691
glutamine_M+03GlutamineME382401---146.0691
glutamine_M+04GlutamineME382402---146.0691
glutamine_M+05GlutamineME382403---146.0691
glutamine_M+06GlutamineME382404---146.0691
glutamine_M+07GlutamineME382405---146.0691
glutamine_M+08GlutamineME382406---146.0691
glycine_M+00GlycineME382230---75.032
glycine_M+01GlycineME382231---75.032
glycine_M+02GlycineME382232---75.032
glycine_M+03GlycineME382233---75.032
glycine_M+04GlycineME382234---75.032
glycine_M+05GlycineME382235---75.032
histidine_M+00HistidineME382407---155.0695
histidine_M+01HistidineME382408---155.0695
histidine_M+02HistidineME382409---155.0695
histidine_M+03HistidineME382410---155.0695
histidine_M+04HistidineME382411---155.0695
histidine_M+05HistidineME382412---155.0695
histidine_M+06HistidineME382413---155.0695
histidine_M+07HistidineME382414---155.0695
histidine_M+08HistidineME382415---155.0695
histidine_M+09HistidineME382416---155.0695
isocitric acid_M+00Isocitric acidME382427---192.027
isocitric acid_M+01Isocitric acidME382428---192.027
isocitric acid_M+02Isocitric acidME382429---192.027
isocitric acid_M+03Isocitric acidME382430---192.027
isocitric acid_M+04Isocitric acidME382431---192.027
isocitric acid_M+05Isocitric acidME382432---192.027
isocitric acid_M+06Isocitric acidME382433---192.027
isocitric acid_M+07Isocitric acidME382434---192.027
isocitric acid_M+08Isocitric acidME382435---192.027
isocitric acid_M+09Isocitric acidME382436---192.027
isoleucine_M+00IsoleucineME382253---131.0946
isoleucine_M+01IsoleucineME382254---131.0946
isoleucine_M+02IsoleucineME382255---131.0946
isoleucine_M+03IsoleucineME382256---131.0946
isoleucine_M+04IsoleucineME382257---131.0946
isoleucine_M+05IsoleucineME382258---131.0946
isoleucine_M+06IsoleucineME382259---131.0946
isoleucine_M+07IsoleucineME382260---131.0946
lactate_M+00Lactic acidME382216---90.0317
lactate_M+01Lactic acidME382217---90.0317
lactate_M+02Lactic acidME382218---90.0317
lactate_M+03Lactic acidME382219---90.0317
lactate_M+04Lactic acidME382220---90.0317
lactate_M+05Lactic acidME382221---90.0317
lactate_M+06Lactic acidME382222---90.0317
leucine_M+00LeucineME382245---131.0946
leucine_M+01LeucineME382246---131.0946
leucine_M+02LeucineME382247---131.0946
leucine_M+03LeucineME382248---131.0946
leucine_M+04LeucineME382249---131.0946
leucine_M+05LeucineME382250---131.0946
leucine_M+06LeucineME382251---131.0946
leucine_M+07LeucineME382252---131.0946
lysine_M+00LysineME382388---146.1055
lysine_M+01LysineME382389---146.1055
lysine_M+02LysineME382390---146.1055
lysine_M+03LysineME382391---146.1055
lysine_M+04LysineME382392---146.1055
lysine_M+05LysineME382393---146.1055
lysine_M+06LysineME382394---146.1055
lysine_M+07LysineME382395---146.1055
lysine_M+08LysineME382396---146.1055
lysine_M+09LysineME382397---146.1055
malate_M+00Malic acidME382341---134.0215
malate_M+01Malic acidME382342---134.0215
malate_M+02Malic acidME382343---134.0215
malate_M+03Malic acidME382344---134.0215
malate_M+04Malic acidME382345---134.0215
malate_M+05Malic acidME382346---134.0215
malate_M+06Malic acidME382347---134.0215
malate_M+07Malic acidME382348---134.0215
methionine_M+00MethionineME382295---149.0511
methionine_M+01MethionineME382296---149.0511
methionine_M+02MethionineME382297---149.0511
methionine_M+03MethionineME382298---149.0511
methionine_M+04MethionineME382299---149.0511
methionine_M+05MethionineME382300---149.0511
methionine_M+06MethionineME382301---149.0511
methionine_M+07MethionineME382302---149.0511
methionine_M+08MethionineME382303---149.0511
oxoproline_M+00OxoprolineME382286---129.0426
oxoproline_M+01OxoprolineME382287---129.0426
oxoproline_M+02OxoprolineME382288---129.0426
oxoproline_M+03OxoprolineME382289---129.0426
oxoproline_M+04OxoprolineME382290---129.0426
oxoproline_M+05OxoprolineME382291---129.0426
oxoproline_M+06OxoprolineME382292---129.0426
oxoproline_M+07OxoprolineME382293---129.0426
oxoproline_M+08OxoprolineME382294---129.0426
phenylalanine_M+00PhenylalanineME382328---165.079
phenylalanine_M+01PhenylalanineME382329---165.079
phenylalanine_M+02PhenylalanineME382330---165.079
phenylalanine_M+03PhenylalanineME382331---165.079
phenylalanine_M+04PhenylalanineME382332---165.079
phenylalanine_M+05PhenylalanineME382333---165.079
phenylalanine_M+06PhenylalanineME382334---165.079
phenylalanine_M+07PhenylalanineME382335---165.079
phenylalanine_M+08PhenylalanineME382336---165.079
phenylalanine_M+09PhenylalanineME382337---165.079
phenylalanine_M+10PhenylalanineME382338---165.079
phenylalanine_M+11PhenylalanineME382339---165.079
phenylalanine_M+12PhenylalanineME382340---165.079
phosphoenolpyruvate_M+00Phosphoenolpyruvic acidME382364---167.9824
phosphoenolpyruvate_M+01Phosphoenolpyruvic acidME382365---167.9824
phosphoenolpyruvate_M+02Phosphoenolpyruvic acidME382366---167.9824
phosphoenolpyruvate_M+03Phosphoenolpyruvic acidME382367---167.9824
phosphoenolpyruvate_M+04Phosphoenolpyruvic acidME382368---167.9824
phosphoenolpyruvate_M+05Phosphoenolpyruvic acidME382369---167.9824
phosphoenolpyruvate_M+06Phosphoenolpyruvic acidME382370---167.9824
proline_M+00ProlineME382269---115.0633
proline_M+01ProlineME382270---115.0633
proline_M+02ProlineME382271---115.0633
proline_M+03ProlineME382272---115.0633
proline_M+04ProlineME382273---115.0633
proline_M+05ProlineME382274---115.0633
proline_M+06ProlineME382275---115.0633
proline_M+07ProlineME382276---115.0633
proline_M+08ProlineME382277---115.0633
pyruvic acid_M+00Pyruvic acidME382209---88.016
pyruvic acid_M+01Pyruvic acidME382210---88.016
pyruvic acid_M+02Pyruvic acidME382211---88.016
pyruvic acid_M+03Pyruvic acidME382212---88.016
pyruvic acid_M+04Pyruvic acidME382213---88.016
pyruvic acid_M+05Pyruvic acidME382214---88.016
pyruvic acid_M+06Pyruvic acidME382215---88.016
serine_M+00SerineME382304---105.0426
serine_M+01SerineME382305---105.0426
serine_M+02SerineME382306---105.0426
serine_M+03SerineME382307---105.0426
serine_M+04SerineME382308---105.0426
serine_M+05SerineME382309---105.0426
serine_M+06SerineME382310---105.0426
succinate_M+00Succinic acidME382261---118.0266
succinate_M+01Succinic acidME382262---118.0266
succinate_M+02Succinic acidME382263---118.0266
succinate_M+03Succinic acidME382264---118.0266
succinate_M+04Succinic acidME382265---118.0266
succinate_M+05Succinic acidME382266---118.0266
succinate_M+06Succinic acidME382267---118.0266
succinate_M+07Succinic acidME382268---118.0266
threonine_M+00ThreonineME382320---119.0582
threonine_M+01ThreonineME382321---119.0582
threonine_M+02ThreonineME382322---119.0582
threonine_M+03ThreonineME382323---119.0582
threonine_M+04ThreonineME382324---119.0582
threonine_M+05ThreonineME382325---119.0582
threonine_M+06ThreonineME382326---119.0582
threonine_M+07ThreonineME382327---119.0582
tryptophan_M+00TryptophanME382450---204.0899
tryptophan_M+01TryptophanME382451---204.0899
tryptophan_M+02TryptophanME382452---204.0899
tryptophan_M+03TryptophanME382453---204.0899
tryptophan_M+04TryptophanME382454---204.0899
tryptophan_M+05TryptophanME382455---204.0899
tryptophan_M+06TryptophanME382456---204.0899
tryptophan_M+07TryptophanME382457---204.0899
tryptophan_M+08TryptophanME382458---204.0899
tryptophan_M+09TryptophanME382459---204.0899
tryptophan_M+10TryptophanME382460---204.0899
tryptophan_M+11TryptophanME382461---204.0899
tryptophan_M+12TryptophanME382462---204.0899
tryptophan_M+13TryptophanME382463---204.0899
tryptophan_M+14TryptophanME382464---204.0899
tyrosine_M+00TyrosineME382437---181.0739
tyrosine_M+01TyrosineME382438---181.0739
tyrosine_M+02TyrosineME382439---181.0739
tyrosine_M+03TyrosineME382440---181.0739
tyrosine_M+04TyrosineME382441---181.0739
tyrosine_M+05TyrosineME382442---181.0739
tyrosine_M+06TyrosineME382443---181.0739
tyrosine_M+07TyrosineME382444---181.0739
tyrosine_M+08TyrosineME382445---181.0739
tyrosine_M+09TyrosineME382446---181.0739
tyrosine_M+10TyrosineME382447---181.0739
tyrosine_M+11TyrosineME382448---181.0739
tyrosine_M+12TyrosineME382449---181.0739
valine_M+00ValineME382236---117.079
valine_M+01ValineME382237---117.079
valine_M+02ValineME382238---117.079
valine_M+03ValineME382239---117.079
valine_M+04ValineME382240---117.079
valine_M+05ValineME382241---117.079
valine_M+06ValineME382242---117.079
valine_M+07ValineME382243---117.079
valine_M+08ValineME382244---117.079


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