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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
1-hexadecanolCetyl alcoholME3975592682C00823679596299
1-monooleinMG 18:1(9Z)/0:0/0:0ME3975585283468-952623129
1-monopalmitinMG 16:0/0:0/0:0ME39755714900C01885901749129
1-monostearinMG 18:0/0:0/0:0ME39755624699D01947959214203
2,5-dihydroxypyrazine NIST-ME39756023368901-397526241
2-hydroxyglutaric acid2-Hydroxyglutaric acidME39755443C02630506306247
2-monooleinMG 0:0/18:1(9Z)/0:0ME3975535319879-941794129
3-(1-pyrazolyl)-L-alanine-ME397552151491-499548218
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME39754916069996C06474588886231
3-hydroxybutyric acid3-Hydroxybutyric acidME39755192135C01089278632191
3-phosphoglycerate3-Phosphoglyceric acidME397550724C00597610734227
4-hydroxybenzoate4-Hydroxybenzoic acidME397548135C00156537925223
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME397546439176C00170967036236
5-methoxytryptamine5-MethoxytryptamineME3975471833C05659864466174
aconitic acidcis-Aconitic acidME397545643757C00417586815229
adenineAdenineME397544190C00147646534264
adenosineAdenosineME39754360961C00212918039236
adenosine-5-monophosphateAMPME3975426083C000201041375315
adipic acidAdipic acidME397541196C06104474435111
alanineAlanineME3975405950C00041243971116
allantoic acidAllantoic acidME397539203C00499723539259
aminomalonateAminomalonic acidME397538100714C00872455754218
arabitolArabitolME39753794154C01904570685217
arachidic acidArachidic acidME39753610467C06425856421117
arachidonic acidArachidonic acidME397535444899C0021983433991
asparagineAsparagineME3975346267C00152553078188
aspartic acidAspartic acidME3975335960C00049480387232
benzoic acidBenzoic acidME397532243C00180339067179
beta-alaninebeta-AlanineME397531239C00099435564248
beta-glycerolphosphatesn-Glycero-2-phosphateME3975302526C02979574470243
beta-sitosterolSitosterolME397529222284C017531128225129
butyrolactam NIST-ME39752812025-277199142
capric acidCapric acidME3975272969C01571451790229
cellobioseCellobioseME3975266255C01971943858160
cholesterolCholesterolME3975255997C001871078536129
cis-gondoic acidcis-Gondoic acidME3975235282768C16526847372117
citric acidCitric acidME397522311C00158617342273
citrullineCitrullineME3975219750C00327621404157
conduritol-beta-epoxideConduritol epoxideME3975209989541-675635318
creatinineCreatinineME397519588C00791502599115
cysteineCysteineME3975185862C00097500158220
cytidine-5-monophosphateCMPME397517--700635243
dehydroabietic acidDehydroabietic acidME39751694391C12078850374239
dehydroascorbic acidDehydroascorbic acidME397515440667C05422632888173
dihydrocholesterolDihydrocholesterolME39751466066C129781082070215
docosahexaenoic acidDocosahexaenoic acidME397513--90281991
dodecanolDodecanolME3975128193C02277507619243
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
gamma-aminobutyric acidgamma-Aminobutyric acidME397501119C00334364801102
glucoseGlucoseME39750064689C00221659798319
glucose-1-phosphateGlucose 1-phosphateME39749965533C00103594647217
glucose-6-phosphateGlucose 6-phosphateME3974985958C00092818275387
glutamic acidGlutamic acidME39749733032C00025529100246
glutamineGlutamineME3974965961C00064600315156
glutaric acidGlutaric acidME397495743C00489421260261
glutathioneGlutathioneME397494124886C00051761296213
glyceric acidGlyceric acidME397493439194C00258377495189
glycerolGlycerolME397492753C00116344466205
glycerol-3-galactosideGalactosylglycerolME39749116048618C05401800205204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME397490754C03189590747357
glycineGlycineME397489750C00037368707248
glycolic acidGlycolic acidME397488757C00160227215177
guanosineGuanosineME3974876802C00387954962324
heptadecanoic acidMargaric acidME39748610465-751309117
hexadecylglycerol NIST-ME397485--867593205
hexitolSorbitolME397484453C00392704741217
hexose-6-phosphateHexose 6-phosphateME397483208C02965806282387
hexuronic acidHexuronic acidME397482152867-667373160
homoserineHomoserineME39748112647C00263443878218
hydroquinoneHydroquinoneME397480785C00530422583239
hydroxylamineHydroxylamineME397479787C00192255241146
hypoxanthineHypoxanthineME397478790C00262619128265
inosineInosineME3974776021C00294897184230
inosine-5'-monophosphateIMPME3974768582C001301018687169
inositol-4-monophosphateInositol 4-phosphateME397475440043C03546846510315
isogondoic acid-ME3975245282768C16526851223367
isohexonic acid-ME397474604-698302333
isoleucineIsoleucineME3974736306C00407359251158
lactamideLactamideME39747294220-265698232
lactic acidLactic acidME397471612C01432217657191
lactitolLactitolME397470157355C13542959541361
lactoseLactoseME397469440995C00243935640191
lauric acidLauric acidME3974683893C02679547906117
leucineLeucineME3974676106C00123345168158
levoglucosanGlucosanME3974662724705-569637204
lignoceric acidLignoceric acidME39746511197C08320978597132
linoleic acidLinoleic acidME3974645280450C01595777414150
lithocholic acidLithocholic acidME3974639903C039901104161215
lysineLysineME3974625962C00047663483156
lyxoseLyxoseME397461439240C00476541086217
maleic acidMaleic acidME397460444266C01384363611245
maleimideMaleimideME39745910935C07272245118154
malic acidMalic acidME397458525C00711463180233
maltoseMaltoseME397457439186C00208954710204
maltotrioseMaltotrioseME397456439586C018351176044361
mannitolMannitolME3974556251C00392663215319
mannoseMannoseME39745418950C00159645856205
methanolphosphateMethanolphosphateME39745313130-289520241
methionineMethionineME3974526137C00073483560176
methionine sulfoxideMethionine sulfoxideME397451158980C02989637588128
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
nonadecanoic acidNonadecylic acidME39744312591C16535822782117
octadecanolStearyl alcoholME3974428221-755409327
octanol NIST-ME397441957C00756247010187
oleic acidOleic acidME397440445639C00712779120339
ornithineOrnithineME3974396262C00077619548142
oxalic acidOxalic acidME397438971C00209260513190
oxamic acidOxamic acidME397437974C01444338255190
oxoprolinePyroglutamic acidME3974367405C01879485935156
palmitic acidPalmitic acidME397434985C00249713809313
palmitoleic acidPalmitoleic acidME397433445638C08362706508311
pantothenic acidPantothenic acidME3974326613C12276690887291
parabanic acid NIST-ME39743167126C00802464991100
pelargonic acidPelargonic acidME3974308158C01601399229117
pentadecanoic acidPentadecylic acidME39742913849C16537674647117
phenylalaninePhenylalanineME3974286140C00079537804218
phosphatePhosphoric acidME3974271004C00009345365314
phosphoethanolaminePhosphoethanolamineME3974261015C00346604335299
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME3974359378C03672654036308
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
sophoroseSophoroseME397412441432C08250972799319
sorbitolSorbitolME3974115780C00794667922217
squaleneSqualeneME397410638072C0075197623795
stearic acidStearic acidME3974095281C01530787622117
succinic acidSuccinic acidME3974081110C00042370737247
sucroseSucroseME3974075988C00089912704271
sulfuric acidTrichilin AME3974061118C00059282411227
taurineTaurineME3974051123C00245556690326
terephthalic acidTerephthalic acidME3974047489C06337612262295
threonic acidThreonic acidME3974035460407C01620497572292
threonineThreonineME3974026288C00188409568218
thymidineThymidineME3974015789C00214349402170
thymineThymineME3974001135C00178420133255
tocopherol alpha-RetinalME397399638015C003761067809237
trans-4-hydroxy-L-prolinetrans-4-HydroxyprolineME3973985810C01157457910158
tryptophanTryptophanME3973976305C00078780482202
tyrosineTyrosineME3973966057C00082671252218
UDP GlcNAcUDP-GlcNAcME397394445675C00043627437226
UDP-glucuronic acidUDP-glucuronic acidME39739517473C00167587601217
uracilUracilME3973931174C00106385735241
ureaUreaME397392--329351189
uric acidUric acidME3973911175C00366730691441
uridineUridineME3973906029C00299861508217
valineValineME3973896287C00183313502144
xanthineXanthineME3973881188C00385701688353
xanthosineXanthosineME39738764959C01762926133325
xylitolXylitolME3973866912C00379567437217
xylonolactone NIST-ME397385439692C02266535176217
xylulose NIST-ME397384439205C00312553450173


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