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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-AnhydrosorbitolME41859964960C07326-217
1-monooleinMG 18:1(9Z)/0:0/0:0ME4185985283468--129
1-monopalmitinMG 16:0/0:0/0:0ME41859714900C01885-129
1-monostearinMG 18:0/0:0/0:0ME41859624699D01947-203
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME418595250402--292
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME41860023368901--241
2-aminobutyric acid2-Aminobutyric acidME4185946657C02721-130
2-deoxytetronic acid3,4-Dihydroxybutyric acidME418593150929--189
2-hydroxybutanoic acid2-Hydroxybutyric acidME418592440864C05984-131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME41859143C02630-247
2-hydroxyhexanoic acid2-Hydroxyhexanoic acidME41859099824--159
2-hydroxyvaleric acid2-Hydroxyvaleric acidME41858998009--131
2-ketobutyric acid3-Methyl pyruvic acidME41858858C00109-89
2-ketoisocaproic acidKetoleucineME41858770C00233-89
2-monooleinMG 0:0/18:1(9Z)/0:0ME4185865319879--129
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME41858516069996C06474-231
3-hydroxybutyric acid3-Hydroxybutyric acidME41858492135C01089-191
3-phosphoglycerate3-Phosphoglyceric acidME418583724C00597-227
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME418582127C00642-179
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME418581439176C00170-236
5-methoxytryptamine5-MethoxytryptamineME4185801833C05659-174
6-deoxyglucoseQuinovoseME418579441480C08352-117
9-myristoleateMyristoleic acidME418578---117
aconitic acidcis-Aconitic acidME418577643757C00417-229
adenosineAdenosineME41857660961C00212-236
adenosine-5-monophosphateAMPME4185756083C00020-169
adipic acidAdipic acidME418574196C06104-111
alanineAlanineME4185735950C00041-116
allantoic acidAllantoic acidME418572203C00499-259
alpha-aminoadipic acidalpha-Aminoadipic acidME41857192136C00956-260
alpha-ketoglutarate2-Oxoglutaric acidME41857051C00026-198
aminomalonateAminomalonic acidME418569100714C00872-218
arabinoseArabinoseME4185686902C00216-217
arabitolArabitolME41856794154C01904-217
arachidic acidArachidic acidME41856610467C06425-117
arachidonic acidArachidonic acidME418565444899C00219-91
ascorbic acidVitamin CME41856454670067C00072-332
asparagineAsparagineME4185636267C00152-188
aspartic acidAspartic acidME4185625960C00049-232
behenic acidBehenic acidME4185618215C08281-117
benzoic acidBenzoic acidME418560243C00180-179
beta-alaninebeta-AlanineME418559239C00099-248
beta-glycerolphosphatesn-Glycero-2-phosphateME4185582526C02979-243
beta-sitosterolSitosterolME418557222284C01753-129
butylamineButylamineME4185568007C18706-174
capric acidCapric acidME4185552969C01571-229
cellobioseCellobioseME4185546255C01971-204
cholesterolCholesterolME4185535997C00187-129
cholesteroneCholestenoneME41855291477C00599-456
cis-gondoic acidcis-Gondoic acidME4185515282768C16526-367
citric acidCitric acidME418550311C00158-273
citrullineCitrullineME4185499750C00327-157
conduritol-beta-expoxideConduritol epoxideME4185489989541--318
creatinineCreatinineME418547588C00791-115
cysteineCysteineME4185465862C00097-220
cystineCystineME418545595C01420-218
cytidine-5-monophosphateCMPME4185446131C00055-243
dehydroascorbic acidL-Dehydroascorbic acidME418543440667C05422-173
dihydrocholesterolDihydrocholesterolME41854266066C12978-215
ethanolamineEthanolamineME418540700C00189-174
ethanol phosphate NISTEthylphosphateME41854174190--211
fructoseFructoseME418539439709C02336-307
fructose-6-phosphateFructose 6-phosphateME418538440641C05345-315
fucoseFucoseME418537439650C02095-117
fumaric acidFumaric acidME418536444972C00122-245
galactonic acidGalactonic acidME418535128869C00880-292
galactose-6-phosphateGalactose 6-phosphateME418534439404C01113-387
galacturonic acidGalacturonic acidME418533441476C08348-333
gluconic acidGluconic acidME4185326857417C00800-333
glucoseGlucoseME418531---217
glucose-1-phosphateGlucose 1-phosphateME41853065533C00103-217
glucose-6-phosphateGlucose 6-phosphateME4185295958C00092-387
glutamic acidGlutamic acidME41852833032C00025-246
glutamineGlutamineME4185275961C00064-156
glutaric acidGlutaric acidME418526743C00489-261
glutathioneGlutathioneME418525124886C00051-213
glyceric acidGlyceric acidME418524439194C00258-189
glycerolGlycerolME418523753C00116-205
glycerol-3-galactosideGalactosylglycerolME41852216048618C05401-204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME418521754C03189-357
glycineGlycineME418520750C00037-248
glycolic acidGlycolic acidME418519757C00160-177
glycyl prolineGly-ProME4185183013625--174
guanineGuanineME418517764C00242-352
guanosineGuanosineME4185166802C00387-324
heptadecanoic acidMargaric acidME41851510465--117
hexitolSorbitolME418514453C00392-217
hexose-6-phosphateHexose 6-phosphateME418513208C02965-387
hexuronic acidHexuronic acidME418512---333
histidineHistidineME4185116274C00135-154
homoserineHomoserineME41851012647C00263-218
hydroquinoneHydroquinoneME418509785C00530-239
hydroxycarbamate NISTHydroxycarbamic acidME41850816639161--278
hydroxylamineHydroxylamineME418507787C00192-146
hypoxanthineHypoxanthineME418506790C00262-265
indole-3-acetateIndoleacetic acidME418505802C00954-202
indole-3-lactateIndolelactic acidME41850492904C02043-202
indoxyl sulfateIndoxyl sulfateME41850310258--277
inosineInosineME4185026021C00294-230
inosine 5'-monophosphateIMPME4185018582C00130-169
inositol-4-monophosphateInositol 4-phosphateME418500440043C03546-315
isocitric acidIsocitric acidME4184995318532C00451-245
isohexonic acid-ME418498604--333
isoleucineIsoleucineME4184976306C00407-158
isomaltoseIsomaltoseME418496439193C00252-160
isothreonic acidD-Threonic acidME418495151152C00639-292
itaconic acidItaconic acidME418494811C00490-147
lactic acidLactic acidME418493612C01432-191
lactitolLactitolME418492157355C13542-361
lauric acidLauric acidME4184913893C02679-117
leucineLeucineME4184906106C00123-158
levoglucosanGlucosanME4184892724705--204
linoleic acidLinoleic acidME4184885280450C01595-150
linolenic acidOctadecatrienoic acidME4184875280934C06427-108
lysineLysineME4184865962C00047-156
lyxitolL-ArabitolME418485439255C00532-217
maleimideMaleimideME41848410935C07272-154
malic acidMalic acidME418483525C00711-233
malonic acidMalonic acidME418482867C00383-233
maltose 1MaltoseME418481439186C00208-204
maltotrioseMaltotrioseME418480439586C01835-361
mannoseMannoseME41847918950C00159-205
methanolphosphateMethanolphosphateME41847813130--241
methionineMethionineME4184776137C00073-176
methionine sulfoxideMethionine sulfoxideME418476158980C02989-128
myo-inositolMyo-inositolME418475892C00137-305
myristic acidMyristic acidME41847411005C06424-285
N-acetylaspartic acidN-Acetylaspartic acidME41847365065C01042-158
n-acetyl-d-hexosamineN-AcetylhexosamineME41847224139C03878-319
N-acetyl-D-tryptophanN-Acetyl-D-tryptophanME418471439917C03137-202
N-acetylglutamateN-Acetylglutamic acidME41847070914C00624-216
N-acetylglycine NISTN-AcetylglycineME41846910972--174
N-acetylmannosamineN-Acetyl-mannosamineME418468439281C00645-319
nicotinamideNiacinamideME418467936C00153-179
octadecanolStearyl alcoholME4184668221--327
oleamide NISTOleamideME4184655283387C19670-144
oleic acidOleic acidME418464445639C00712-339
ornithine 3TMSOrnithineME4184636262C00077-142
oxalic acidOxalic acidME418462971C00209-190
oxoprolineOxoprolineME4184617405C01879-156
palatinitol1,2,3-ButanetriolME41846088735--204
palmitic acidPalmitic acidME418459985C00249-313
palmitoleic acidPalmitoleic acidME418458445638C08362-311
pantothenic acidPantothenic acidME4184576613C12276-291
parabanic acid NISTParabanic acidME41845667126C00802-100
pelargonic acidPelargonic acidME4184558158C01601-117
phenylalaninePhenylalanineME4184546140C00079-218
phosphatePhosphoric acidME4184531004C00009-314
phosphoenolpyruvatePhosphoenolpyruvic acidME41845258114173C00074-211
phosphoethanolaminePhosphoethanolamineME4184511015C00346-299
pipecolinic acidPipecolic acidME4184506931662--156
prolineProlineME418449145742C00148-142
pseudo uridinePseudouridineME41844815047C02067-217
p-tolyl glucuronideP-Cresol glucuronideME418447154035--180
putrescinePutrescineME4184461045C00138-174
pyrophosphatePyrophosphateME4184451023C00013-110
pyruvic acidPyruvic acidME4184441060C00022-174
quinolinic acidQuinolinic acidME4184431066C03722-296
raffinoseRaffinoseME418442439242C00492-361
ribitolRibitolME418441827C00474-217
ribonic acidRibonic acidME4184405460677C01685-292
riboseRiboseME4184395779C00121-217
ribose-5-phosphateRibose 5-phosphateME418438439167C00117-315
saccharic acidGlucaric acidME41843733037C00818-333
serineSerineME4184365951C00065-218
sorbitolSorbitolME4184355780C00794-217
squaleneSqualeneME418434638072C00751-95
stearic acidStearic acidME4184335281C01530-117
succinic acidSuccinic acidME4184321110C00042-247
sucroseSucroseME4184315988C00089-271
tagatoseD-TagatoseME418430439312C00795-307
tartaric acidTartaric acidME418429444305C00898-292
taurineTaurineME4184281123C00245-326
threonic acidThreonic acidME4184275460407C01620-292
threonineThreonineME4184266288C00188-218
thymineThymineME4184251135C00178-255
tocopherol alpha-alpha-TocopherolME418424638015C00376-237
trans-4-hydroxy-L-prolinetrans-4-HydroxyprolineME4184235810C01157-158
tryptophanTryptophanME4184226305C00078-202
tyrosineTyrosineME4184216057C00082-218
UDP-glucuronic acidUDP-glucuronic acidME41842017473C00167-217
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME418419445675C00043-226
uracilUracilME4184181174C00106-241
ureaUreaME4184171176C00086-189
uric acidUric acidME4184161175C00366-441
uridineUridineME4184156029C00299-217
urocanic acidUrocanic acidME418414736715C00785-267
valineValineME4184136287C00183-144
xanthineXanthineME4184121188C00385-353
xanthosineXanthosineME41841164959C01762-325
xylitolXylitolME4184106912C00379-217
xylonic acid isomer-ME41840910264C02341-189
xylonolactone NISTD-Xylono-1,5-lactoneME418408439692C02266-217
xyloseXyloseME418407135191C00181-103


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