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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
phosphatePhosphoric acidME2677631004C00009345365314
pyrophosphatePyrophosphateME2677591023C00013547021451
pyruvic acidPyruvic acidME2677581060C00022211668174
glutamic acidGlutamic acidME26781533032C00025529100246
alpha-ketoglutarate2-Oxoglutaric acidME26783851C00026507392198
glycineGlycineME267810750C00037368707248
alanineAlanineME2678395950C00041243971116
succinic acidSuccinic acidME2677491110C00042370608247
lysineLysineME2677875962C00047663483156
aspartic acidAspartic acidME2678325960C00049480387232
glutamineGlutamineME2678145961C00064600000156
serineSerineME2677535951C00065395020218
methionineMethionineME2677806137C00073483560176
ornithineOrnithineME2677736262C00077594051174
tryptophanTryptophanME2677416305C00078780482202
phenylalaninePhenylalanineME2677646140C00079537804218
tyrosineTyrosineME2677406057C00082671252218
ureaUreaME2677391176C00086329351189
sucroseSucroseME2677485988C00089912704271
cysteineCysteineME2678225862C00097500158220
beta-alaninebeta-AlanineME267829239C00099435564248
glycerolGlycerolME267812753C00116344466205
riboseRiboseME2677555779C00121553135217
leucineLeucineME2677896106C00123346101158
histidineHistidineME2678036274C00135663790154
myo-inositolMyo-inositolME267779892C00137730022305
prolineProlineME267762145742C00148364716142
asparagineAsparagineME2678336267C00152553078188
citric acidCitric acidME267826311C00158617342273
mannoseMannoseME26778218950C00159645856205
glycolic acidGlycolic acidME267809757C00160227409177
benzoic acidBenzoic acidME267831243C00180339067179
valineValineME2677366287C00183313502144
cholesterolCholesterolME2678275997C001871078536129
threonineThreonineME2677456288C00188408777218
ethanolamineEthanolamineME267819700C00189344719174
hydroxylamineHydroxylamineME267801787C00192255241146
oxalic acidOxalic acidME267772971C00209260513190
arachidonic acidArachidonic acidME267834444899C0021983433991
glucoseGlucoseME26781664689C00221659798319
2-ketoisocaproic acidKetoleucineME26784470C0023331076189
taurineTaurineME2677471123C00245556690326
palmitic acidPalmitic acidME267769985C00249713809313
nicotinic acidNicotinic acidME267775938C00253353934180
glyceric acidGlyceric acidME267813439194C00258377495189
hypoxanthineHypoxanthineME267800790C00262619128265
quinic acidQuinic acidME2677576508C00296632897345
uridineUridineME2677376029C00299861508217
citrullineCitrullineME2678259750C00327621404157
uric acidUric acidME2677381175C00366730691441
tocopherol alpha-alpha-TocopherolME267744638015C003761067809237
xanthineXanthineME2677351188C00385701688353
hexitolSorbitolME267806453C00392704741217
mannitolMannitolME2677836251C00392663215319
isoleucineIsoleucineME2677956306C00407359251158
N-acetylornithineN-AcetylornithineME267776439232C00437697086174
isocitric acidIsocitric acidME2677965318532C00451617338245
shikimic acidShikimic acidME2677528742C00493611100204
lyxitolL-ArabitolME267786439255C00532573587217
n-acetylglutamateN-Acetylglutamic acidME26777770914C00624477776158
isothreonic acidD-Threonic acidME267793151152C00639489385292
malic acidMalic acidME267784525C00711463180233
oleic acidOleic acidME267774445639C00712779120339
creatinineCreatinineME267823588C00791502599115
sorbitolSorbitolME2677515780C00794667922217
gluconic acidGluconic acidME2678176857417C00800693148333
parabanic acid NISTParabanic acidME26776767126C00802464991100
salicylic acidSalicylic acidME267754338C00805480699267
aminomalonateAminomalonic acidME267837100714C00872455754218
indole-3-acetateIndoleacetic acidME267799802C00954684929202
4-hydroxybutyric acid4-Hydroxybutyric acidME26784110413C00989325027233
3-hydroxybutyric acid3-Hydroxybutyric acidME26784292135C01089278829191
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2677425810C01157484934140
cystineCystineME267821595C01420804619218
lactic acidLactic acidME267792612C01432217657191
oxamic acidOxamic acidME267771974C01444338255190
benzylalcoholBenzyl alcoholME2678302879C01468280360165
stearic acidStearic acidME2677505281C01530787622117
capric acidCapric acidME2678282969C01571451790229
hippuric acidHippuric acidME267804464C01586636836206
linoleic acidLinoleic acidME2677885280450C01595777414150
pelargonic acidPelargonic acidME2677668158C01601399229117
threonic acidThreonic acidME2677465460407C01620497572292
ribonic acidRibonic acidME2677565460677C01685599680292
oxoprolineOxoprolineME2677707405C01879485935156
1-monopalmitinMG 16:0/0:0/0:0ME26784814900C01885901749129
arabitolArabitolME26783694154C01904570685217
indole-3-lactateIndolelactic acidME26779892904C02043764586202
pseudo-uridinePseudouridineME26776015047C02067815904217
fucoseFucoseME267818439650C02095578299160
propane-1,3-diol NISTPropane-1,3-diolME26776110442C02457214380177
tocopherol gamma-gamma-TocopherolME26774392729C024831026121223
lauric acidLauric acidME2677903893C02679547906117
2-aminobutyric acid2-Aminobutyric acidME2678476657C02721285825130
glycerol-alpha-phosphatesn-Glycero-3-phosphateME267811754C03189590747357
3-aminoisobutyric acid3-Aminoisobutanoic acidME26784364956C05145452655248
5-methoxytryptamine5-MethoxytryptamineME2678401833C05659864466174
2-hydroxybutanoic acid2-Hydroxybutyric acidME267845440864C05984258161131
myristic acidMyristic acidME26777811005C06424634414285
arachidic acidArachidic acidME26783510467C06425856421117
epsilon-caprolactamEpsilon-caprolactamME2678207768C06593353069170
lactuloseLactuloseME26779111333C07064929908204
maleimideMaleimideME26778510935C07272245118154
palmitoleic acidPalmitoleic acidME267768445638C08362708023311
pentadecanoic acidPentadecylic acidME26776513849C16537674647117
isothreitolThreitolME267794169019C16884464779217
1-monooleinMG 18:1(9Z)/0:0/0:0ME2678495283468-952623129
2-deoxytetronic acid NIST3,4-Dihydroxybutyric acidME267846192742-390517117
conduritol-beta-epoxideConduritol epoxideME2678249989541-675635318
heptadecanoic acidMargaric acidME26780810465-751309117
hexadecaneHexadecaneME26780711006-52596485
hexuronic acidHexuronic acidME267805152867-667373160
hydroxycarbamate NISTHydroxycarbamic acidME26780216639161-325318278
indole-3-propionic acid3-Indolepropionic acidME2677973744-732249202
methanolphosphateMethanolphosphateME26778113130-289520241


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