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


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