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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 acidME3008741004C00009345365314
pyrophosphatePyrophosphateME3008671023C00013327517110
pyridoxal-5-phosphatePyridoxal 5'-phosphateME3008681051C00018825754219
adenosine-5-monophosphateAMPME3009916083C000201041375315
pyruvic acidPyruvic acidME3008661060C00022213805174
glutamic acidGlutamic acidME30094533032C00025529100246
alpha-ketoglutarate2-Oxoglutaric acidME30098651C00026507392198
glycineGlycineME300939750C00037368707248
alanineAlanineME3009895950C00041244189116
succinic acidSuccinic acidME3008511110C00042370608247
UDP GlcNAcUDP-N-acetylglucosamineME300838445675C00043627437226
lysineLysineME3009075962C00047663483156
aspartic acidAspartic acidME3009815960C00049480387232
cytidine-5-monophosphateCMPME3009616131C00055700635243
glutamineGlutamineME3009445961C00064600315156
serineSerineME3008575951C00065395020218
methionineMethionineME3008986137C00073483560176
enolpyruvate NISTPhosphoenolpyruvic acidME3009551005C00074234394217
tryptophanTryptophanME3008406305C00078780482202
phenylalaninePhenylalanineME3008756140C00079537804218
tyrosineTyrosineME3008396057C00082671252218
ureaUreaME3008361176C00086336741189
sucroseSucroseME3008505988C00089915139271
cysteineCysteineME3009655862C00097500158220
beta-alaninebeta-AlanineME300979239C00099435564248
glucose-1-phosphateGlucose 1-phosphateME30094665533C00103594647217
uridine-5-monophosphateUMPME3008336030C00105977896169
uracilUracilME3008371174C00106385816241
2-ketobutyric acid3-Methyl pyruvic acidME30100958C0010922535889
glycerolGlycerolME300941753C00116344428205
ribose-5-phosphateRibose 5-phosphateME300861439167C00117731096315
riboseRiboseME3008625779C00121553078217
fumaric acidFumaric acidME300952444972C00122392338245
leucineLeucineME3009116106C00123346357158
inosine 5'-monophosphateIMPME3009238582C001301016811169
histidineHistidineME3009286274C00135663739154
myo-inositolMyo-inositolME300895892C00137730022305
putrescinePutrescineME3008691045C00138588119174
adenineAdenineME300993190C00147646534264
prolineProlineME300871145742C00148364716142
asparagineAsparagineME3009826267C00152553078188
nicotinamideNiacinamideME300888936C00153471602179
citric acidCitric acidME300969311C00158617342273
mannoseMannoseME30090118950C00159645856205
glycolic acidGlycolic acidME300937757C00160227636177
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME300996439176C00170967036236
thymineThymineME3008421135C00178420133255
benzoic acidBenzoic acidME300980243C00180339067179
xyloseXyloseME300829135191C00181546699307
valineValineME3008326287C00183313502144
dihydroxyacetoneDihydroxyacetoneME300957670C0018433212089
cholesterolCholesterolME3009735997C001871078536129
threonineThreonineME3008456288C00188409568218
ethanolamineEthanolamineME300954700C00189343800174
hydroxylamineHydroxylamineME300926787C00192255241146
maltoseMaltoseME300902439186C00208946601204
oxalic acidOxalic acidME300883971C00209260513190
adenosineAdenosineME30099260961C00212918039236
thymidineThymidineME3008445789C00214349402170
arachidonic acidArachidonic acidME300983444899C0021983433991
glucoseGlucoseME30094764689C00221659798319
succinate semialdehydeSuccinic acid semialdehydeME3008521112C00232297024113
2-ketoisocaproic acidKetoleucineME30100870C0023331076189
taurineTaurineME3008481123C00245556690326
palmitic acidPalmitic acidME300880985C00249713809313
isomaltoseIsomaltoseME300918439193C00252983199160
glyceric acidGlyceric acidME300942439194C00258377495189
hypoxanthineHypoxanthineME300925790C00262619128265
inosineInosineME3009246021C00294897184230
orotic acidOrotic acidME300884967C00295586317254
uridineUridineME3008346029C00299861508217
spermidineSpermidineME3008541102C00315792924144
D-erythro-sphingosineSphingosineME3009595280335C00319859500204
citrullineCitrullineME3009689750C00327622918157
4-aminobutyric acid4-Aminopentanoic acidME300999119C00334488730304
phosphoethanolaminePhosphoethanolamineME3008731015C00346604335299
thymidine-5-phosphateTMPME3008439700C00364608111170
uric acidUric acidME3008351175C00366731038441
tocopherol alpha-alpha-TocopherolME300841638015C003761066526237
xylitolXylitolME3008306912C00379567437217
cytosinCytosineME300960597C00380486724254
xanthineXanthineME3008311188C00385701688353
guanosineGuanosineME3009356802C00387954962324
hexitolSorbitolME300931453C00392704741217
isoleucineIsoleucineME3009196306C00407359251158
aconitic acidcis-Aconitic acidME300994643757C00417586815229
5-aminovaleric acid5-Aminopentanoic acidME300997138C00431536657174
N-carbamoylaspartateN-Carbamoylaspartic acidME30089093072C00438611345257
ribitolRibitolME300864827C00474575497217
glutaric acidGlutaric acidME300943743C00489421260261
itaconic acidItaconic acidME300916811C00490386511147
raffinoseRaffinoseME300865439242C004921120886361
shikimic acidShikimic acidME3008568742C00493611100204
lyxitolL-ArabitolME300906439255C00532573587217
glycocyamineGuanidoacetic acidME300938763C00581511016171
3-phosphoglycerate3-Phosphoglyceric acidME301000724C00597610734227
cholesteroneCholestenoneME30097291477C005991095940456
isothreonic acidD-Threonic acidME300917151152C00639489385292
N-acetylmannosamineN-Acetyl-mannosamineME300891439281C00645722897319
malic acidMalic acidME300903525C00711463180233
oleic acidOleic acidME300885445639C00712779120339
creatinineCreatinineME300966588C00791502599115
sorbitolSorbitolME3008555780C00794667922217
gluconic acidGluconic acidME3009486857417C00800693148333
parabanic acid NISTParabanic acidME30087867126C00802464991100
salicylic acidSalicylic acidME300858338C00805480699267
saccharic acidGlucaric acidME30086033037C00818699211333
1-hexadecanolCetyl alcoholME3010152682C00823679596299
aminomalonateAminomalonic acidME300985100714C00872455754218
mucic acidGalactaric acidME3008963037582C00879709842333
galactonic acidGalactonic acidME300950128869C00880690882292
tartaric acidTartaric acidME300849444305C00898534291292
alpha-aminoadipic acidalpha-Aminoadipic acidME30098792136C00956573295260
4-hydroxybutyric acid4-Hydroxybutyric acidME30099810413C00989325027233
3-hydroxypropionic acidHydroxypropionic acidME30100168152C01013269265177
N-acetylaspartic acidN-Acetylaspartic acidME30089365065C01042548028158
3,4-dihydroxycinnamic acidCaffeic acidME301005689043C01197748847219
galactinolGalactinolME30095111727586C012351017580204
inulotrioseLevanME30092122833608C013551131821361
maleic acidMaleic acidME300905444266C01384363611245
cysteine-glycineCys-GlyME300964439498C01419715335220
cystineCystineME300963595C01420804619218
lactic acidLactic acidME300915612C01432217657191
stearic acidStearic acidME3008535281C01530787622117
capric acidCapric acidME3009752969C01571451790229
linoleic acidLinoleic acidME3009085280450C01595777414150
pelargonic acidPelargonic acidME3008778158C01601399229117
threonic acidThreonic acidME3008465460407C01620497572292
ribonic acidRibonic acidME3008635460677C01685599680292
lanosterolLanosterolME300913246983C017241129573393
oxoprolineOxoprolineME3008827405C01879485935156
cellobioseCellobioseME3009746255C01971932179204
glucoheptuloseGlucoheptuloseME3009495459879C02076828606217
fucoseFucoseME300953439650C02095578299160
methylmaleic acidCitraconic acidME300897643798C02226418804259
propane-1,3-diol NISTPropane-1,3-diolME30087010442C02457214380177
2-hydroxyglutaric acid2-Hydroxyglutaric acidME30101143C02630506306247
lauric acidLauric acidME3009123893C02679547906117
hexose-6-phosphateHexose 6-phosphateME300930208C02965806282387
beta-glycerolphosphatesn-Glycero-2-phosphateME3009782526C02979574470243
glycerol-alpha-phosphatesn-Glycero-3-phosphateME300940754C03189590747357
inositol-4-monophosphateInositol 4-phosphateME300922440043C03546846510315
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME3010021662C03761521554247
pinitolPinitolME300872164619C03844622466260
n-acetyl-d-hexosamineN-AcetylhexosamineME30089224139C03878746341319
3-aminoisobutyric acid3-Aminoisobutanoic acidME30100364956C05145309837102
zymosterolZymosterolME30082892746C054371088064129
5-methoxytryptamine5-MethoxytryptamineME3009951833C05659864466174
N-carbamylglutamateCarglumic acidME300889121396C05829651275257
adipic acidAdipic acidME300990196C06104474435111
salicylaldehyde2-HydroxybenzaldehydeME3008596998C06202406586193
terephthalic acidTerephthalic acidME3008477489C06337612262295
myristic acidMyristic acidME30089411005C06424634414285
arachidic acidArachidic acidME30098410467C06425856421117
docosahexaenoic acidDocosahexaenoic acidME300956445580C0642990281991
maleimideMaleimideME30090410935C07272245118154
melezitoseMelezitoseME30090092817C082431146704361
lignoceric acidLignoceric acidME30090911197C08320978597132
palmitoleic acidPalmitoleic acidME300879445638C08362704511311
3,4-dihydroxyhydrocinnamic acid NIST3,4-Dihydroxyhydrocinnamic acidME301004348154C10447673176179
dihydrocholesterolDihydrocholesterolME30095866066C129781082070215
lactitolLactitolME300914157355C13542959541361
octadecylglycerolMG O-18:0ME3008873681C13858928878205
hexadecylglycerol NISTMG O-16:0ME30093272733C13859867593205
cis-gondoic acidcis-Gondoic acidME3009705282768C16526847372367
pentadecanoic acidPentadecylic acidME30087613849C16537674647117
oleamide NISTOleamideME3008865283387C19670849710144
1-monostearinMG 18:0/0:0/0:0ME30101324699D01947959214203
1,2-anhydro-myo-inositol NIST1,2-Anhydro-myo-inositolME301016119054-651472318
1-monooleinMG 18:1(9Z)/0:0/0:0ME3010145283468-952623129
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME30101223368901-397526241
2-hydroxyvaleric acid2-Hydroxyvaleric acidME30101098009-309587131
2-monooleinMG 0:0/18:1(9Z)/0:0ME3010075319879-941794129
2-monopalmitinMG 0:0/16:0/0:0ME301006123409-890356129
alloxanoic acid NISTAlloxanoic acidME30098894146-584472331
bisphosphoglycerol NIST-ME300977102018-764660299
butyrolactam NIST2-PyrrolidinoneME30097612025-277199142
cis-caffeic acidCaffeic acidME3009711549111-688023219
conduritol-beta-epoxideConduritol epoxideME3009679989541-675635318
cytidineCytidineME300962--934269223
glycyl tyrosineGly-TyrME30093692829-922071174
heptadecanoic acidMargaric acidME30093410465-751309117
hexadecaneHexadecaneME30093311006-52596485
hexuronic acidHexuronic acidME300929152867-667373160
hydroxycarbamate NISTHydroxycarbamic acidME30092716639161-325318278
isohexonic acid-ME300920604-698302333
levoglucosanGlucosanME3009102724705-569637204
methanolphosphateMethanolphosphateME30089913130-289520241
palatinitol1,2,3-ButanetriolME30088188735-996670204


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