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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-hydroxyglutaric (433,245)2-Hydroxyglutaric acidME621880----
2-hydroxyglutaric M+12-Hydroxyglutaric acidME621881----
2-hydroxyglutaric M+22-Hydroxyglutaric acidME621882----
2-hydroxyglutaric M+32-Hydroxyglutaric acidME621883----
2-Hydroxyglutaric M+42-Hydroxyglutaric acidME621884----
2-hydroxyglutaric M+52-Hydroxyglutaric acidME621885----
2P-Glycerol M+0-ME621886----
2P-Glycerol M+1-ME621887----
2P-Glycerol M+2-ME621888----
2P-Glycerol M+3-ME621889----
2-phosphoglycerate M+12-Phosphoglyceric acidME621891----
2-phosphoglycerate M+22-Phosphoglyceric acidME621892----
2-phosphoglycerate M+32-Phosphoglyceric acidME621893----
2-phosphoGlycertate (585,383)-ME621890----
3-hydroxybutyrate (275,233)3-Hydroxybutyric acidME621899----
3-hydroxybutyrate M+13-Hydroxybutyric acidME621900----
3-hydroxybutyrate M+23-Hydroxybutyric acidME621901----
3-hydroxybutyrate M+33-Hydroxybutyric acidME621902----
3-hydroxybutyrate M+43-Hydroxybutyric acidME621903----
3-Hydroxy isobutyric (275,260)3-Hydroxyisobutyric acidME621894----
3-Hydroxy isobutyric M+13-Hydroxyisobutyric acidME621895----
3-Hydroxy isobutyric M+23-Hydroxyisobutyric acidME621896----
3-Hydroxy isobutyric M+33-Hydroxyisobutyric acidME621897----
3-Hydroxy isobutyric M+43-Hydroxyisobutyric acidME621898----
3P-glycerol M+0-ME621904----
3P-glycerol M+1-ME621905----
3P-glycerol M+2-ME621906----
3P-glycerol M+3-ME621907----
3-phosphoglycerate (585,383)3-Phosphoglyceric acidME621908----
3-phosphoglycerate M+13-Phosphoglyceric acidME621909----
3-phosphoglycerate M+23-Phosphoglyceric acidME621910----
3-phosphoglycerate M+33-Phosphoglyceric acidME621911----
Adenine 2TBDMSAdenineME621912----
Adenine M+1AdenineME621913----
Adenine M+2AdenineME621914----
Adenine M+3AdenineME621915----
Adenine M+4AdenineME621916----
Adenine M+5AdenineME621917----
aketoglutarate (346,258)2-Oxoglutaric acidME621918----
aketoglutarate m+12-Oxoglutaric acidME621919----
aketoglutarate m+22-Oxoglutaric acidME621920----
aketoglutarate m+32-Oxoglutaric acidME621921----
aketoglutarate m+42-Oxoglutaric acidME621922----
aketoglutarate m+52-Oxoglutaric acidME621923----
Alanine (260,232)AlanineME621924----
Alanine m+1AlanineME621925----
Alanine m+2AlanineME621926----
Alanine m+3AlanineME621927----
Aminoadipic 3TBDMS ?Aminoadipic acidME621928----
aminoadipic M+1Aminoadipic acidME621929----
aminoadipic M+2Aminoadipic acidME621930----
aminoadipic M+3Aminoadipic acidME621931----
aminoadipic M+4Aminoadipic acidME621932----
aminoadipic M+5Aminoadipic acidME621933----
aminoadipic M+6Aminoadipic acidME621934----
Asparagine (417,302)AsparagineME621935----
Asparagine M+1AsparagineME621936----
Asparagine M+2AsparagineME621937----
Asparagine M+3AsparagineME621938----
Asparagine M+4AsparagineME621939----
Asparagine M+5AsparagineME621940----
Asparagine M+6AsparagineME621941----
Asparagine M+7AsparagineME621942----
Aspartic (418,390)Aspartic acidME621943----
Aspartic M+1Aspartic acidME621944----
Aspartic M+2Aspartic acidME621945----
Aspartic M+3Aspartic acidME621946----
Aspartic M+4Aspartic acidME621947----
Aspartic M+5Aspartic acidME621948----
b-alanine M+0beta-AlanineME621949----
b-alanine M+1beta-AlanineME621950----
b-alanine M+2beta-AlanineME621951----
b-alanine M+3beta-AlanineME621952----
b-alanine M+4beta-AlanineME621953----
Cis-aconitic (459,327)cis-Aconitic acidME621954----
Cis-aconitic M +1-ME621955----
Cis-aconitic M+2cis-Aconitic acidME621956----
Cis-aconitic M+3cis-Aconitic acidME621957----
Cis-aconitic M+4cis-Aconitic acidME621958----
Cis-Aconitic M+5cis-Aconitic acidME621959----
Cis-aconitic M+6cis-Aconitic acidME621960----
Citric (459,431)Citric acidME621961----
Citric m+1 (460,432)-ME621962----
Citric m+2 (461,433)-ME621963----
Citric m+3 (462,434)-ME621964----
Citric m+4 (463,435)-ME621965----
Citric m+5 (464,436)-ME621966----
Citric m+6 (465, 437)-ME621967----
Creatinine (284,341)CreatinineME621968----
Creatinine M+1CreatinineME621969----
Creatinine M+2CreatinineME621970----
Creatinine M+3CreatinineME621971----
Cysteine (406,378)CysteineME621972----
Cysteine M+1CysteineME621973----
Cysteine M+2CysteineME621974----
Cysteine M+3CysteineME621975----
Cysteine M+4CysteineME621976----
Cytosine M+0 1TBDMS-ME621977----
Cytosine M+0 2TBDMS-ME621982----
Cytosine M+1 1TBDMS-ME621978----
Cytosine M+1 2TBDMS-ME621983----
Cytosine M+2 1TBDMS-ME621979----
Cytosine M+2 2TBDMS-ME621984----
Cytosine M+3 1TBDMS-ME621980----
Cytosine M+3 2TBDMS-ME621985----
Cytosine M+4 1TBDMS-ME621981----
Cytosine M+4 2TBDMS-ME621986----
DHAP 1/2 (484,452,383)-ME621987----
DHAP 1/2 M+1-ME621988----
DHAP 1/2 M+2-ME621989----
DHAP 1/2 M+3-ME621990----
DHAP 2/2 (484,452,383)-ME621991----
DHAP 2/2 M+1-ME621992----
DHAP 2/2 M+2-ME621993----
DHAP 2/2 M+3-ME621994----
Ethanolamine (232,144)EthanolamineME621995----
EThanolamine M+1EthanolamineME621996----
Ethanolamine M+2EthanolamineME621997----
Fumaric (287,329)Fumaric acidME621998----
Fumaric M+1Fumaric acidME621999----
Fumaric M+2Fumaric acidME622000----
Fumaric M+3Fumaric acidME622001----
Fumaric M+4Fumaric acidME622002----
GABA M+0gamma-Aminobutyric acidME622003----
GABA M+1gamma-Aminobutyric acidME622004----
GABA M+2gamma-Aminobutyric acidME622005----
GABA M+3gamma-Aminobutyric acidME622006----
GABA M+4gamma-Aminobutyric acidME622007----
Glucose 2 M-ME622008----
Glucose 2 M+1GlucoseME622009----
Glucose 2 M+2GlucoseME622010----
Glucose 2 M+3GlucoseME622011----
Glucose 2 M+4GlucoseME622012----
Glucose 2 M+5GlucoseME622013----
Glucose 2 M+6GlucoseME622014----
Glucose 3 M+0GlucoseME622015----
Glucose 3 M+1GlucoseME622016----
Glucose 3 M+2GlucoseME622017----
Glucose 3 M+3GlucoseME622018----
Glucose 3 M+4GlucoseME622019----
Glucose 3 M+5GlucoseME622020----
Glucose 3 M+6GlucoseME622021----
Glutamic (432,330)Glutamic acidME622022----
Glutamic m+1Glutamic acidME622023----
Glutamic m+2Glutamic acidME622024----
Glutamic m+3Glutamic acidME622025----
Glutamic m+4Glutamic acidME622026----
Glutamic m+5Glutamic acidME622027----
Glutamic M+6Glutamic acidME622028----
Glutamine (431,329)GlutamineME622029----
Glutamine M+1GlutamineME622030----
Glutamine M+2GlutamineME622031----
Glutamine M+3GlutamineME622032----
Glutamine M+4GlutamineME622033----
Glutamine M+5GlutamineME622034----
Glutamine M+6GlutamineME622035----
Glutamine M+7GlutamineME622036----
Glyceraldehyde-3P (484,457,425)Glyceraldehyde 3-phosphateME622037----
Glyceraldehyde-3P M+1Glyceraldehyde 3-phosphateME622038----
Glyceraldehyde-3P M+2Glyceraldehyde 3-phosphateME622039----
Glyceraldehyde-3P M+3Glyceraldehyde 3-phosphateME622040----
Glycerol M+0GlycerolME622041----
Glycerol M+1GlycerolME622042----
Glycerol M+2GlycerolME622043----
Glycerol M+3GlycerolME622044----
Glycine (246,218)GlycineME622045----
Glycine m+1GlycineME622046----
Glycine m+2GlycineME622047----
Glycolic Acid (247,189) ?Glycolic acidME622048----
Glycolic M+1Glycolic acidME622049----
Glycolic M+2Glycolic acidME622050----
Histidine (440,338)HistidineME622051----
Histidine M+1HistidineME622052----
Histidine M+2HistidineME622053----
Histidine M+3HistidineME622054----
Histidine M+4HistidineME622055----
Histidine M+5HistidineME622056----
Histidine M+6HistidineME622057----
Histidine M+7HistidineME622058----
Histidine M+8HistidineME622059----
Homocysteine (420,392)HomocysteineME622060----
Homocysteine M+1HomocysteineME622061----
Homocysteine M+2HomocysteineME622062----
Homocysteine M+3HomocysteineME622063----
Homocysteine M+4HomocysteineME622064----
Hydroxyproline (416,388)HydroxyprolineME622065----
Hydroxyproline M+1HydroxyprolineME622066----
Hydroxyproline M+2HydroxyprolineME622067----
Hydroxyproline M+3HydroxyprolineME622068----
Hydroxyproline M+4HydroxyprolineME622069----
Hydroxyproline M+5HydroxyprolineME622070----
Hydroxyproline M+6HydroxyprolineME622071----
Hypotaruine (280,158)-ME622072----
Hypotaurine M+1HypotaurineME622073----
Hypotaurine M+2HypotaurineME622074----
Hypoxanthine M+0HypoxanthineME622075----
Hypoxanthine M+1HypoxanthineME622076----
Hypoxanthine M+2HypoxanthineME622077----
Hypoxanthine M+3HypoxanthineME622078----
Hypoxanthine M+4HypoxanthineME622079----
Hypoxanthine M+5HypoxanthineME622080----
Isocitric (459,431)Isocitric acidME622081----
Isocitric m+1 (460,432)-ME622082----
Isocitric m+2 (461,433)-ME622083----
Isocitric m+3 (462,434)-ME622084----
Isocitric m+4 (463,435)-ME622085----
Isocitric m+5 (464,436)-ME622086----
Isocitric m+6 (465, 437)-ME622087----
Isoleucine (302,274)IsoleucineME622088----
Isoleucine M+1IsoleucineME622089----
Isoleucine M+2IsoleucineME622090----
Isoleucine M+3IsoleucineME622091----
Isoleucine M+4IsoleucineME622092----
Isoleucine M+5IsoleucineME622093----
Isoleucine M+6IsoleucineME622094----
Isoleucine M+7IsoleucineME622095----
Lactic (261,233)Lactic acidME622096----
Lactic M+1Lactic acidME622097----
Lactic M+2Lactic acidME622098----
Lactic M+3Lactic acidME622099----
Leucine (302,274)LeucineME622100----
Leucine M+1LeucineME622101----
Leucine M+2LeucineME622102----
Leucine M+3LeucineME622103----
Leucine M+4LeucineME622104----
Leucine M+5LeucineME622105----
Leucine M+6LeucineME622106----
Leucine M+7LeucineME622107----
Lysine (431,488)LysineME622108----
Lysine M+1LysineME622109----
Lysine M+2LysineME622110----
Lysine M+3LysineME622111----
Lysine M+4LysineME622112----
Lysine M+5LysineME622113----
Lysine M+6LysineME622114----
Lysine M+7LysineME622115----
Lysine M+8LysineME622116----
Malic (419,287)Malic acidME622117----
Malic M+1Malic acidME622118----
Malic m+2Malic acidME622119----
Malic m+3Malic acidME622120----
Malic m+4Malic acidME622121----
Methionine (320,292)MethionineME622122----
Methionine M+1MethionineME622123----
Methionine M+2MethionineME622124----
Methionine M+3MethionineME622125----
Methionine M+4MethionineME622126----
Methionine M+5MethionineME622127----
Methionine M+6MethionineME622128----
Myristic-D27 ISTD-ME622144----
Myristic M+0 (285,129,327)-ME622129----
Myristic M+1Myristic acidME622130----
Myristic M+10Myristic acidME622139----
Myristic M+11Myristic acidME622140----
Myristic M+12Myristic acidME622141----
Myristic M+13Myristic acidME622142----
Myristic M+14Myristic acidME622143----
Myristic M+2Myristic acidME622131----
Myristic M+3Myristic acidME622132----
Myristic M+4Myristic acidME622133----
Myristic M+5Myristic acidME622134----
Myristic M+6Myristic acidME622135----
Myristic M+7Myristic acidME622136----
Myristic M+8Myristic acidME622137----
Myristic M+9Myristic acidME622138----
N-acetylAspartic (3TBDMS) M+0N-Acetylaspartic acidME622152----
N-acetylAspartic (3TBDMS) M+1N-Acetylaspartic acidME622153----
N-acetylAspartic (3TBDMS) M+2N-Acetylaspartic acidME622154----
N-acetylAspartic (3TBDMS) M+3N-Acetylaspartic acidME622155----
N-acetylAspartic (3TBDMS) M+4N-Acetylaspartic acidME622156----
N-acetylAspartic (3TBDMS) M+5N-Acetylaspartic acidME622157----
N-acetylAspartic (3TBDMS) M+6N-Acetylaspartic acidME622158----
n-acetyl aspartic acid M+0N-Acetylaspartic acidME622145----
n-acetyl aspartic acid M+1N-Acetylaspartic acidME622146----
n-acetyl aspartic acid M+2N-Acetylaspartic acidME622147----
n-acetyl aspartic acid M+3N-Acetylaspartic acidME622148----
n-acetyl aspartic acid M+4N-Acetylaspartic acidME622149----
n-acetyl aspartic acid M+5N-Acetylaspartic acidME622150----
n-acetyl aspartic acid M+6N-Acetylaspartic acidME622151----
Niacinamide (179, 136, 221)NiacinamideME622159----
Niacinamide M+1NiacinamideME622160----
Niacinamide M+2NiacinamideME622161----
Niacinamide M+3NiacinamideME622162----
Niacinamide M+4NiacinamideME622163----
Niacinamide M+5NiacinamideME622164----
Niacinamide M+6NiacinamideME622165----
Oleic Acid M0Oleic acidME622166----
Oleic Acid M1Oleic acidME622167----
Oleic Acid M10Oleic acidME622176----
Oleic Acid M11Oleic acidME622177----
Oleic Acid M12Oleic acidME622178----
Oleic Acid M13Oleic acidME622179----
Oleic Acid M14Oleic acidME622180----
Oleic Acid M15Oleic acidME622181----
Oleic Acid M16Oleic acidME622182----
Oleic Acid M17Oleic acidME622183----
Oleic Acid M18Oleic acidME622184----
Oleic Acid M2Oleic acidME622168----
Oleic Acid M3Oleic acidME622169----
Oleic Acid M4Oleic acidME622170----
Oleic Acid M5Oleic acidME622171----
Oleic Acid M6Oleic acidME622172----
Oleic Acid M7Oleic acidME622173----
Oleic Acid M8Oleic acidME622174----
Oleic Acid M9Oleic acidME622175----
Oleic M+0 2-ME622185----
Oleic M+10 2-ME622195----
Oleic M+11 2-ME622196----
Oleic M+1 -2Oleic acidME622186----
Oleic M+12 2-ME622197----
Oleic M+13 2-ME622198----
Oleic M+14 2-ME622199----
Oleic M+15 2-ME622200----
Oleic M+16 2-ME622201----
Oleic M+17 2-ME622202----
Oleic M+18 2-ME622203----
Oleic M+2 2-ME622187----
Oleic M+3 2-ME622188----
Oleic M+4 2-ME622189----
Oleic M+5 2-ME622190----
Oleic M+6 2-ME622191----
Oleic M+7 2-ME622192----
Oleic M+8 2-ME622193----
Oleic M+9 2-ME622194----
Ornithine (474,417)OrnithineME622204----
Ornithine M+1OrnithineME622205----
Ornithine M+2OrnithineME622206----
Ornithine M+3OrnithineME622207----
Ornithine M+4OrnithineME622208----
Ornithine M+5OrnithineME622209----
Ornithine M+6OrnithineME622210----
Oxaloacetic (332,374)Oxaloacetic acidME622211----
Oxaloacetic m+1Oxaloacetic acidME622212----
Oxaloacetic m+2Oxaloacetic acidME622213----
Oxaloacetic m+3Oxaloacetic acidME622214----
Oxaloacetic m+4Oxaloacetic acidME622215----
Palmitic M+0Palmitic acidME622216----
Palmitic M+1Palmitic acidME622217----
Palmitic M+10Palmitic acidME622226----
Palmitic M+11Palmitic acidME622227----
Palmitic M+12Palmitic acidME622228----
Palmitic M+13Palmitic acidME622229----
Palmitic M+14Palmitic acidME622230----
Palmitic M+15Palmitic acidME622231----
Palmitic M+16Palmitic acidME622232----
Palmitic M+2Palmitic acidME622218----
Palmitic M+3Palmitic acidME622219----
Palmitic M+4Palmitic acidME622220----
Palmitic M+5Palmitic acidME622221----
Palmitic M+6Palmitic acidME622222----
Palmitic M+7Palmitic acidME622223----
Palmitic M+8Palmitic acidME622224----
Palmitic M+9Palmitic acidME622225----
Phenylalanine (336,308)PhenylalanineME622233----
Phenylalanine M+1PhenylalanineME622234----
Phenylalanine M+10PhenylalanineME622243----
Phenylalanine M+2PhenylalanineME622235----
Phenylalanine M+3PhenylalanineME622236----
Phenylalanine M+4PhenylalanineME622237----
Phenylalanine M+5PhenylalanineME622238----
Phenylalanine M+6PhenylalanineME622239----
Phenylalanine M+7PhenylalanineME622240----
Phenylalanine M+8PhenylalanineME622241----
Phenylalanine M+9PhenylalanineME622242----
Phosphoenolpyruvic (453,495)Phosphoenolpyruvic acidME622244----
Phosphoenolpyruvic m+1Phosphoenolpyruvic acidME622245----
Phosphoenolpyruvic m+2Phosphoenolpyruvic acidME622246----
Phosphoenolpyruvic m+3Phosphoenolpyruvic acidME622247----
Phosphoserine (584,482)PhosphoserineME622248----
Phosphoserine M+1PhosphoserineME622249----
Phosphoserine M+2PhosphoserineME622250----
Phosphoserine M+3PhosphoserineME622251----
Phosphoserine M+4PhosphoserineME622252----
Proline (286,258)ProlineME622253----
Proline M+1ProlineME622254----
Proline M+2ProlineME622255----
Proline M+3ProlineME622256----
Proline M+4ProlineME622257----
Proline M+5ProlineME622258----
Proline M+6ProlineME622259----
Propylene glycol 2TBDMS 247,189 ?Propylene glycolME622260----
Propylene glycol M+1Propylene glycolME622261----
Propylene glycol M+2Propylene glycolME622262----
Propylene glycol M+3Propylene glycolME622263----
Pyroglutamic (300,272)Pyroglutamic acidME622264----
Pyroglutamic M+1Pyroglutamic acidME622265----
Pyroglutamic M+2Pyroglutamic acidME622266----
Pyroglutamic M+3Pyroglutamic acidME622267----
Pyroglutamic M+4Pyroglutamic acidME622268----
Pyroglutamic M+5Pyroglutamic acidME622269----
Pyroglutamic M+6Pyroglutamic acidME622270----
Pyruvic (174,115)Pyruvic acidME622271----
Pyruvic M+1Pyruvic acidME622272----
Pyruvic M+2Pyruvic acidME622273----
Pyruvic M+3Pyruvic acidME622274----
Serine (390,362)SerineME622275----
Serine m+1SerineME622276----
Serine m+2SerineME622277----
Serine m+3SerineME622278----
Serine M+4SerineME622279----
Stearic M+0 341,129,383-ME622280----
Stearic M+1Stearic acidME622281----
Stearic M+10Stearic acidME622290----
Stearic M+11Stearic acidME622291----
Stearic M+12Stearic acidME622292----
Stearic M+13Stearic acidME622293----
Stearic M+14Stearic acidME622294----
Stearic M+15Stearic acidME622295----
Stearic M+16Stearic acidME622296----
Stearic M+17Stearic acidME622297----
Stearic M+18Stearic acidME622298----
Stearic M+2Stearic acidME622282----
Stearic M+3Stearic acidME622283----
Stearic M+4Stearic acidME622284----
Stearic M+5Stearic acidME622285----
Stearic M+6Stearic acidME622286----
Stearic M+7Stearic acidME622287----
Stearic M+8Stearic acidME622288----
Stearic M+9Stearic acidME622289----
Succinic +1Succinic acidME622300----
Succinic +2Succinic acidME622301----
Succinic (289,331)Succinic acidME622299----
Succinic +3Succinic acidME622302----
Succinic +4Succinic acidME622303----
TaurineTaurineME622304----
Taurine M+1TaurineME622305----
Taurine M+2TaurineME622306----
Threonine (404,376)ThreonineME622307----
Threonine M+1ThreonineME622308----
Threonine M+2ThreonineME622309----
Threonine M+3ThreonineME622310----
Threonine M+4ThreonineME622311----
Threonine M+5ThreonineME622312----
Thymine M+0 2 TBDMS-ME622313----
Thymine M+1 2 TBDMS-ME622314----
Thymine M+2 2 TBDMS-ME622315----
Thymine M+3 2 TBDMS-ME622316----
Thymine M+4 2 TBDMS-ME622317----
Thymine M+5 2 TBDMS-ME622318----
Tryptophan M+1TryptophanME622320----
Tryptophan M+2TryptophanME622321----
Tryptophan M+3TryptophanME622322----
Tryptophan M+4TryptophanME622323----
Tryptophan M+5TryptophanME622324----
Tryptophan M+6TryptophanME622325----
Typtophan 3TBDMS 489 531 244Coenzyme Q10ME622319----
Tyrosine (466,302)TyrosineME622326----
Tyrosine M+1TyrosineME622327----
Tyrosine M+2TyrosineME622328----
Tyrosine M+3TyrosineME622329----
Tyrosine M+4TyrosineME622330----
Tyrosine M+5TyrosineME622331----
Uracil M+0UracilME622332----
Uracil M+1UracilME622333----
Uracil M+2UracilME622334----
Uracil M+3UracilME622335----
Uracil M+4UracilME622336----
Urea (231, 273)UreaME622341----
Urea 3 M+1UreaME622338----
Urea 3 M+2UreaME622339----
Urea 3 M+3UreaME622340----
Urea 3-TBDMS (?)UreaME622337----
Urea (M+1)UreaME622342----
Urea (M+2)UreaME622343----
Urea (M+3)UreaME622344----
Uric acid (576,395,511)Uric acidME622345----
Uric acid M+1Uric acidME622346----
Uric Acid M+2Uric acidME622347----
Uric Acid M+3Uric acidME622348----
Uric Acid M+4Uric acidME622349----
Valine (288)ValineME622350----
Valine M+1ValineME622351----
Valine M+2ValineME622352----
Valine M+3ValineME622353----
Valine M+4ValineME622354----
Valine M+5ValineME622355----
Valine M+6ValineME622356----
Xanthine 3TBDMS M+0XanthineME622357----
Xanthine 3TBDMS M+1XanthineME622358----
Xanthine 3TBDMS M+2XanthineME622359----
Xanthine 3TBDMS M+3XanthineME622360----
Xanthine 3TBDMS M+4XanthineME622361----
Xanthine 3TBDMS M+5XanthineME622362----


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