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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
xylulose NISTXyluloseME396917439205C00312553450173
xylonolactone NISTD-Xylono-1,5-lactoneME396918439692C02266535176217
xylitolXylitolME3969196912C00379567437217
xanthineXanthineME3969201188C00385701688353
valineValineME3969216287C00183313502144
uridineUridineME3969226029C00299861508217
uric acidUric acidME3969231175C00366730691441
ureaUreaME3969241176C00086326574189
uracilUracilME3969251174C00106385735241
tyrosineTyrosineME3969266057C00082671252218
tryptophanTryptophanME3969276305C00078780482202
trans-4-hydroxyprolinetrans-4-HydroxyprolineME3969285810C01157484934140
alpha-tocopherolalpha-TocopherolME396929638015C003761067809237
threonineThreonineME3969306288C00188409568218
threonic acidThreonic acidME3969315460407C01620497572292
taurineTaurineME3969321123C00245556690326
tagatoseD-TagatoseME396933439312C00795636627307
sulfuric acidTG 16:0_18:1_18:1ME3969341118C00059282411227
sucroseSucroseME3969355988C00089912704271
succinic acidSuccinic acidME3969361110C00042370608247
stearic acidStearic acidME3969375281C01530787622117
squaleneSqualeneME396938638072C0075197623795
sorbitolSorbitolME3969395780C00794667922217
serineSerineME3969405951C00065395020218
riboseRiboseME396941--553078217
ribonic acidRibonic acidME3969425460677C01685599680292
ribitolRibitolME396943827C00474575497217
raffinoseRaffinoseME396944439242C004921120886361
pyrophosphatePyrophosphateME3969451023C00013327517110
prolineProlineME396946145742C00148364716142
pinitolPinitolME396947164619C03844622466260
phosphoethanolaminePhosphoethanolamineME3969481015C00346603912299
phosphoenolpyruvatePhosphoenolpyruvic acidME396949--518184211
phosphatePhosphoric acidME3969501004C00009345365314
phenylalaninePhenylalanineME3969516140C00079537804218
pentadecanoic acidPentadecylic acidME39695213849C16537674647117
pelargonic acidPelargonic acidME3969538158C01601399229117
parabanic acid NISTParabanic acidME39695467126C00802464991100
pantothenic acidPantothenic acidME3969556613C12276690887291
palmitoleic acidPalmitoleic acidME396956445638C08362704511311
palmitic acidPalmitic acidME396957985C00249713809313
oxoprolineOxoprolineME3969587405C01879485935156
oxalic acidOxalic acidME396959971C00209260513190
ornithineOrnithineME3969606262C00077527113142
oleic acidOleic acidME396961445639C00712779120339
octadecanolStearyl alcoholME3969628221-755409327
nonadecanoic acidNonadecylic acidME39696312591C16535822782117
nicotinamideNiacinamideME396964936C00153471602179
N-acetylaspartic acidN-Acetylaspartic acidME39696565065C01042548028158
myristic acidMyristic acidME39696611005C06424634414285
myo-inositolMyo-inositolME396967892C00137730022305
methionine sulfoxideMethionine sulfoxideME396968158980C02989637588128
methionineMethionineME3969696137C00073483560176
methanolphosphateMethanolphosphateME39697013130-289520241
mannoseMannoseME39697118950C00159645856205
mannitolMannitolME3969726251C00392663215319
maltotrioseMaltotrioseME396973439586C018351176044361
maltoseMaltoseME396974439186C00208946601204
malic acidMalic acidME396975525C00711463180233
maleimideMaleimideME39697610935C07272245118154
lyxitolL-ArabitolME396977439255C00532573587217
lysineLysineME3969785962C00047663483156
linoleic acidLinoleic acidME3969795280450C01595777414150
leucineLeucineME3969806106C00123346101158
lauric acidLauric acidME3969813893C02679547906117
lactoseLactoseME396982440995C00243935640191
lactobionic acidLactobionic acidME3969837314C04247972139204
lactitolLactitolME396984157355C13542959541361
lactic acidLactic acidME396985612C01432217657191
lactamideLactamideME39698694220-265698232
isothreonic acidD-Threonic acidME396987151152C00639494605292
isoleucineIsoleucineME3969886306C00407359081158
inositol-4-monophosphateInositol 4-phosphateME396989440043C03546845976315
inosine 5'-monophosphateIMPME3969908582C001301016811169
inosineInosineME3969916021C00294897184230
hypoxanthineHypoxanthineME396992790C00262619128265
hydroxylamineHydroxylamineME396993787C00192253158146
hexose-6-phosphateHexose 6-phosphateME396994208C02965806282387
hexoseHexoseME396995206C00738642640319
hexitolSorbitolME396996453C00392704741217
heptadecanoic acidMargaric acidME39699710465-751309117
glycolic acidGlycolic acidME396998757C00160227215177
glycineGlycineME396999750C00037368707248
glycerol-alpha-phosphatesn-Glycero-3-phosphateME397000754C03189590747357
glycerol-3-galactosideGalactosylglycerolME39700116048618C05401800205204
glycerolGlycerolME397002753C00116344466205
glyceric acidGlyceric acidME397003439194C00258377495189
glutathioneGlutathioneME397004124886C00051761296213
glutamineGlutamineME3970055961C00064600315156
glutamic acidGlutamic acidME39700633032C00025527086246
glucose-6-phosphateGlucose 6-phosphateME3970075958C00092818275387
glucose-1-phosphateGlucose 1-phosphateME39700865533C00103594647217
glucoseGlucoseME39700964689C00221659798319
galactonic acidGalactonic acidME397010128869C00880690882292
fumaric acidFumaric acidME397011444972C00122390775245
fructose-6-phosphateFructose 6-phosphateME397012440641C05345804279315
fructose-1-phosphateFructose 1-phosphateME397013439394C01094803180387
fructoseFructoseME397014439709C02336641863307
ethanolamineEthanolamineME397015--344675174
erythritolErythritolME397016222285C00503471922217
docosahexaenoic acidDocosahexaenoic acidME397017--90281991
dehydroabietic acidDehydroabietic acidME39701894391C12078850374239
cysteineCysteineME3970195862C00097500158220
creatinineCreatinineME397020588C00791502599115
citric acidCitric acidME397021311C00158617342273
cis-gondoic acidcis-Gondoic acidME3970225282768C16526847372367
cholesterolCholesterolME3970235997C001871078536129
cellobioseCellobioseME3970246255C01971932179204
capric acidCapric acidME3970252969C01571452386229
beta-sitosterolSitosterolME397026222284C017531128225129
beta-gentiobiosebeta-GentiobioseME397027441422C08240973116204
beta-alaninebeta-AlanineME397028239C00099435564248
benzoic acidBenzoic acidME397029243C00180339214179
behenic acidBehenic acidME3970308215C08281920648117
aspartic acidAspartic acidME3970315960C00049433075160
asparagineAsparagineME3970326267C00152553078188
arachidonic acidArachidonic acidME397033444899C0021983433991
arachidic acidArachidic acidME39703410467C06425856421117
arabitolArabitolME39703594154C01904570685217
aminomalonateAminomalonic acidME397036100714C00872455754218
alanineAlanineME3970375950C00041243971116
adenosine-5-monophosphateAMPME3970386083C000201041375315
4-aminobutyric acid4-Aminopentanoic acidME397039119C00334488730304
3-phosphoglycerate3-Phosphoglyceric acidME397040724C00597610734227
3-hydroxybutyric acid3-Hydroxybutyric acidME39704192135C01089278632191
2-monopalmitinMG 0:0/16:0/0:0ME397042123409-890356129
2-monooleinMG 0:0/18:1(9Z)/0:0ME3970435319879-941794129
2-hydroxyglutaric acid2-Hydroxyglutaric acidME39704443C02630506306247
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME39704523368901-397526241
1-monostearinMG 18:0/0:0/0:0ME39704624699D01947959214203
1-monopalmitinMG 16:0/0:0/0:0ME39704714900C01885901749129
1-monooleinMG 18:1(9Z)/0:0/0:0ME3970485283468-952623129
1,5-anhydroglucitol1,5-AnhydrosorbitolME39704964960C07326633969217


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