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Analysis: GC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,5-anhydroglucitol1,5-AnhydrosorbitolME39755564960C07326633969217
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME39756023368901-397526241
2-hydroxyglutaric acid2-Hydroxyglutaric acidME39755443C02630506306247
butyrolactam NIST2-PyrrolidinoneME39752812025-277199142
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME39754916069996C06474588886231
3-hydroxybutyric acid3-Hydroxybutyric acidME39755192135C01089278632191
3-phosphoglycerate3-Phosphoglyceric acidME397550724C00597610734227
3-(1-pyrazolyl)-L-alanine3-(Pyrazol-1-yl)-L-alanineME397552151491-499548218
4-hydroxybenzoate4-Hydroxybenzoic acidME397548135C00156537925223
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME3974359378C03672654036308
5-methoxytryptamine5-MethoxytryptamineME3975471833C05659864466174
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME397546439176C00170967036236
adenineAdenineME397544190C00147646534264
adenosineAdenosineME39754360961C00212918039236
adipic acidAdipic acidME397541196C06104474435111
alanineAlanineME3975405950C00041243971116
allantoic acidAllantoic acidME397539203C00499723539259
tocopherol alpha-alpha-TocopherolME397399638015C003761067809237
aminomalonateAminomalonic acidME397538100714C00872455754218
adenosine-5-monophosphateAMPME3975426083C000201041375315
arabitolArabitolME39753794154C01904570685217
arachidic acidArachidic acidME39753610467C06425856421117
arachidonic acidArachidonic acidME397535444899C0021983433991
asparagineAsparagineME3975346267C00152553078188
aspartic acidAspartic acidME3975335960C00049480387232
benzoic acidBenzoic acidME397532243C00180339067179
beta-alaninebeta-AlanineME397531239C00099435564248
capric acidCapric acidME3975272969C01571451790229
cellobioseCellobioseME3975266255C01971943858160
1-hexadecanolCetyl alcoholME3975592682C00823679596299
cholesterolCholesterolME3975255997C001871078536129
aconitic acidcis-Aconitic acidME397545643757C00417586815229
cis-gondoic acidcis-Gondoic acidME3975235282768C16526847372117
isogondoic acidcis-Gondoic acidME3975245282768C16526851223367
citric acidCitric acidME397522311C00158617342273
citrullineCitrullineME3975219750C00327621404157
cytidine-5-monophosphateCMPME397517--700635243
conduritol-beta-epoxideConduritol epoxideME3975209989541-675635318
creatinineCreatinineME397519588C00791502599115
cysteineCysteineME3975185862C00097500158220
dehydroabietic acidDehydroabietic acidME39751694391C12078850374239
dihydrocholesterolDihydrocholesterolME39751466066C129781082070215
docosahexaenoic acidDocosahexaenoic acidME397513--90281991
dodecanolDodecanolME3975128193C02277507619243
xylonolactone NISTD-Xylono-1,5-lactoneME397385439692C02266535176217
erythronic acidErythronic acidME3975112781043-512029217
erythronic acid lactoneErythrono-1,4-lactoneME3975105325915C02341407495247
ethanolamineEthanolamineME397509700C00189344719174
fructoseFructoseME397508439709C02336641863307
fructose-1-phosphateFructose 1-phosphateME397507439394C01094803180387
fructose-6-phosphateFructose 6-phosphateME397506440641C05345804279315
fucoseFucoseME397505439650C02095578299160
fumaric acidFumaric acidME397504444972C00122390016245
galactoseGalactoseME397503439357C00984648756319
galactose-6-phosphateGalactose 6-phosphateME397502439404C01113828102387
glycerol-3-galactosideGalactosylglycerolME39749116048618C05401800205204
gamma-aminobutyric acidgamma-Aminobutyric acidME397501119C00334364801102
levoglucosanGlucosanME3974662724705-569637204
glucoseGlucoseME39750064689C00221659798319
glucose-1-phosphateGlucose 1-phosphateME39749965533C00103594647217
glucose-6-phosphateGlucose 6-phosphateME3974985958C00092818275387
glutamic acidGlutamic acidME39749733032C00025529100246
glutamineGlutamineME3974965961C00064600315156
glutaric acidGlutaric acidME397495743C00489421260261
glutathioneGlutathioneME397494124886C00051761296213
glyceric acidGlyceric acidME397493439194C00258377495189
glycerolGlycerolME397492753C00116344466205
glycineGlycineME397489750C00037368707248
glycolic acidGlycolic acidME397488757C00160227215177
guanosineGuanosineME3974876802C00387954962324
hexose-6-phosphateHexose 6-phosphateME397483208C02965806282387
hexuronic acidHexuronic acidME397482152867-667373160
homoserineHomoserineME39748112647C00263443878218
hydroquinoneHydroquinoneME397480785C00530422583239
hydroxylamineHydroxylamineME397479787C00192255241146
hypoxanthineHypoxanthineME397478790C00262619128265
inosine-5'-monophosphateIMPME3974768582C001301018687169
inosineInosineME3974776021C00294897184230
inositol-4-monophosphateInositol 4-phosphateME397475440043C03546846510315
isoleucineIsoleucineME3974736306C00407359251158
lactamideLactamideME39747294220-265698232
lactic acidLactic acidME397471612C01432217657191
lactitolLactitolME397470157355C13542959541361
lactoseLactoseME397469440995C00243935640191
lauric acidLauric acidME3974683893C02679547906117
dehydroascorbic acidL-Dehydroascorbic acidME397515440667C05422632888173
leucineLeucineME3974676106C00123345168158
lignoceric acidLignoceric acidME39746511197C08320978597132
linoleic acidLinoleic acidME3974645280450C01595777414150
lithocholic acidLithocholic acidME3974639903C039901104161215
lysineLysineME3974625962C00047663483156
lyxoseLyxoseME397461439240C00476541086217
maleic acidMaleic acidME397460444266C01384363611245
maleimideMaleimideME39745910935C07272245118154
malic acidMalic acidME397458525C00711463180233
maltoseMaltoseME397457439186C00208954710204
maltotrioseMaltotrioseME397456439586C018351176044361
mannitolMannitolME3974556251C00392663215319
mannoseMannoseME39745418950C00159645856205
heptadecanoic acidMargaric acidME39748610465-751309117
methanolphosphateMethanolphosphateME39745313130-289520241
methionineMethionineME3974526137C00073483560176
methionine sulfoxideMethionine sulfoxideME397451158980C02989637588128
2-monooleinMG 0:0/18:1(9Z)/0:0ME3975535319879-941794129
1-monopalmitinMG 16:0/0:0/0:0ME39755714900C01885901749129
1-monostearinMG 18:0/0:0/0:0ME39755624699D01947959214203
1-monooleinMG 18:1(9Z)/0:0/0:0ME3975585283468-952623129
hexadecylglycerol NISTMG O-16:0ME397485--867593205
myo-inositolMyo-inositolME397450892C00137730022305
myristic acidMyristic acidME39744911005C06424634414285
N-acetylaspartic acidN-Acetylaspartic acidME39744665065C01042548028158
N-acetyl-D-galactosamineN-Acetyl-D-galactosamineME397448--723255202
n-acetyl-d-hexosamineN-AcetylhexosamineME39744724139C03878746341319
nicotinamideNiacinamideME397444936C00153469827179
N-methylalanineN-MethylalanineME397445-C02721285825130
octanol NISTn-OctanolME397441957C00756247010187
nonadecanoic acidNonadecylic acidME39744312591C16535822782117
oleic acidOleic acidME397440445639C00712779120339
ornithineOrnithineME3974396262C00077619548142
oxalic acidOxalic acidME397438971C00209260513190
oxamic acidOxamic acidME397437974C01444338255190
oxoprolineOxoprolineME3974367405C01879485935156
palmitic acidPalmitic acidME397434985C00249713809313
palmitoleic acidPalmitoleic acidME397433445638C08362706508311
pantothenic acidPantothenic acidME3974326613C12276690887291
parabanic acid NISTParabanic acidME39743167126C00802464991100
pelargonic acidPelargonic acidME3974308158C01601399229117
pentadecanoic acidPentadecylic acidME39742913849C16537674647117
phenylalaninePhenylalanineME3974286140C00079537804218
phosphoethanolaminePhosphoethanolamineME3974261015C00346604335299
phosphatePhosphoric acidME3974271004C00009345365314
pinitolPinitolME397425164619C03844622466260
pipecolinic acidPipecolic acidME3974246931662-404121156
prolineProlineME397423145742C00148364716142
putrescinePutrescineME3974221049C00138588119174
pyrophosphatePyrophosphateME3974211023C00013327517110
pyruvic acidPyruvic acidME3974201060C00022211003174
raffinoseRaffinoseME397419439242C004921120886361
ribonic acidRibonic acidME3974185460677C01685599680292
riboseRiboseME3974175779C00121553135217
ribose-5-phosphateRibose 5-phosphateME397416439167C00117733959315
ribulose-5-phosphateRibulose 5-phosphateME397415439184C00199735908357
salicylic acidSalicylic acidME397414338C00805480699267
serineSerineME3974135951C00065395020218
beta-sitosterolSitosterolME397529222284C017531128225129
beta-glycerolphosphatesn-Glycero-2-phosphateME3975302526C02979574470243
glycerol-alpha-phosphatesn-Glycero-3-phosphateME397490754C03189590747357
sophoroseSophoroseME397412441432C08250972799319
hexitolSorbitolME397484453C00392704741217
sorbitolSorbitolME3974115780C00794667922217
squaleneSqualeneME397410638072C0075197623795
stearic acidStearic acidME3974095281C01530787622117
octadecanolStearyl alcoholME3974428221-755409327
succinic acidSuccinic acidME3974081110C00042370737247
sucroseSucroseME3974075988C00089912704271
taurineTaurineME3974051123C00245556690326
terephthalic acidTerephthalic acidME3974047489C06337612262295
sulfuric acidTG 16:0_18:1_18:1ME3974061118C00059282411227
threonic acidThreonic acidME3974035460407C01620497572292
threonineThreonineME3974026288C00188409568218
thymidineThymidineME3974015789C00214349402170
thymineThymineME3974001135C00178420133255
trans-4-hydroxy-L-prolinetrans-4-HydroxyprolineME3973985810C01157457910158
tryptophanTryptophanME3973976305C00078780482202
tyrosineTyrosineME3973966057C00082671252218
UDP-glucuronic acidUDP-glucuronic acidME39739517473C00167587601217
UDP GlcNAcUDP-N-acetylglucosamineME397394445675C00043627437226
uracilUracilME3973931174C00106385735241
ureaUreaME397392--329351189
uric acidUric acidME3973911175C00366730691441
uridineUridineME3973906029C00299861508217
valineValineME3973896287C00183313502144
xanthineXanthineME3973881188C00385701688353
xanthosineXanthosineME39738764959C01762926133325
xylitolXylitolME3973866912C00379567437217
xylulose NISTXyluloseME397384439205C00312553450173
isohexonic acid-ME397474604-698302333


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