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


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