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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
1,2,4-benzenetriol1,2,4-TrihydroxybenzeneME47004810787C02814-239
1-hexadecanolCetyl alcoholME4700432682C00823-299
1-kestose1-KestoseME470044440080C03661-361
1-monooleinMG 18:1(9Z)/0:0/0:0ME4700455283468No result-129
1-monopalmitinMG 16:0/0:0/0:0ME47004614900No result-371
1-monostearinMG 18:0/0:0/0:0ME47004724699D01947-203
2,3-dihydroxypyridine2,3-DihydroxypyridineME47005828115No result-240
2,4-diaminobutyric acid2,4-Diaminobutyric acidME470059134490C03283-174
2,6-diaminopimelic acid2,6-Diaminopimelic acidME47006053448507No result-200
2-aminobutyric acid2-Aminobutyric acidME470049517460No result-130
2-aminophenol2-AminophenolME4700505801C01987-150
2-deoxypentitol2-Deoxy-D-ribitolME470051249377No result-231
2-hydroxyglutaric acid2-Hydroxyglutaric acidME47005243C02630-247
2-hydroxyvaleric acid2-Hydroxyvaleric acidME47005398009No result-131
2-ketoadipic acidOxoadipic acidME47005471C00322-89
2-ketoisocaproic acidKetoleucineME47005570C00233-89
2-methylglutaric acid2-Methylglutaric acidME47005612284No result-172
2-monooleinMG 0:0/18:1(9Z)/0:0ME4700575319879No result-129
3-(3-hydroxyphenyl)-3-hydroxypropionic acid3-(3-Hydroxyphenyl)-3-hydroxypropanoic acidME470061102959No result-267
3,4-dihydroxybenzoic acidProtocatechuic acidME47006972C00230-193
3,4-dihydroxycinnamic acidCaffeic acidME470070689043C01197-219
3,4-dihydroxyhydrocinnamic acid3,4-Dihydroxyhydrocinnamic acidME470071348154C10447-179
3,4-dihydroxyphenylacetic acid3,4-Dihydroxybenzeneacetic acidME470072547C01161-179
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME47006210394C01744-179
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME47007316069996C06474-231
3-aminoisobutyric acid3-Aminoisobutanoic acidME47006325201103C05145-102
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME4700641662C03761-247
3-hydroxybutyric acid3-Hydroxybutyric acidME47006592135C01089-191
3-hydroxypalmitic acid3R-Hydroxypalmitic acidME47006615569776No result-233
3-hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME47006712122C05593-164
3-phenyllactic acidPhenyllactic acidME4700683848No result-193
4-aminobenzoic acidp-Aminobenzoic acidME4700747057990C00568-266
4-aminobutyric acid4-Aminopentanoic acidME470075119C00334-304
4-hydroxybenzoic acid4-Hydroxybenzoic acidME470076135C00156-267
4-hydroxybutyric acid4-Hydroxybutyric acidME47007710413C00989-233
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME470078127C00642-179
4-methylcatechol4-MethylcatecholME4700799958C06730-268
4-pyridoxic acid4-Pyridoxic acidME4700806723C00847-309
5-aminovaleric acid5-Aminopentanoic acidME470081138C00431-174
5-hydroxymethyl-2-furoic acidSumiki's acidME47008280642C20448-123
5-methoxytryptamine5-MethoxytryptamineME4700831833C05659-174
6-deoxyglucoseQuinovoseME470084441480C08352-117
6-hydroxynicotinic acid6-Hydroxynicotinic acidME47008572924C01020-268
adenineAdenineME470086190C00147-264
adenosine-5-monophosphateAMPME4700876083C00020-169
adipic acidAdipic acidME470088196C06104-111
alanine-alanineAla-AlaME4700895484352No result-116
alloxanoic acidAlloxanoic acidME47009094146No result-331
alpha-aminoadipic acidalpha-Aminoadipic acidME47009159066632C00956-260
alpha-ketoglutarate2-Oxoglutaric acidME47009251C00026-198
alpha-tocopherolalpha-TocopherolME470093638015C00376-237
aminomalonateAminomalonic acidME470094100714C00872-218
anilineAnilineME4700956115C00292-150
arachidic acidArachidic acidME47009610467C06425-117
arachidonic acidArachidonic acidME470097444899C00219-91
asparagineAsparagineME4700986267C00152-231
aspartic acidAspartic acidME47009944367445C00049-232
azelaic acidAzelaic acidME47010019347555C08261-317
benzoic acidBenzoic acidME47010120144841C00180-179
beta-alaninebeta-AlanineME470102239C00099-248
beta-gentiobiosebeta-GentiobioseME470103441422C08240-160
beta-glutamic acidIsoglutamic acidME47010473064C05574-232
beta-sitosterolSitosterolME470105222284C01753-129
beta-tocopherolbeta-tocopherolME4701068989C14152-223
biphenylBiphenylME4701077095C06588-154
butane-2,3-diol2,3-ButanediolME470108262No result-117
butylamineButylamineME4701098007No result-174
capric acidCapric acidME4701102969C01571-229
caprylic acidCaprylic acidME470111379C06423-201
cellobioseCellobioseME470112294No result-204
cerotinic acidCerotic acidME47011310469No result-145
cholesterolCholesterolME4701145997C00187-129
cis-gondoic acidcis-Gondoic acidME4701155282768C16526-367
citramalic acidCitramalic acidME4701161081C00815-247
citric acidCitric acidME47011719782904C00158-273
cysteineCysteineME4701185862C00097-220
cystineCystineME47011924798687C01420-218
cytosinCytosineME470120597C00380-254
dehydrocholesterolDehydrocholesterolME470122439423C01164-129
delta-tocopheroldelta-TocopherolME47012392094C14151-208
D-erythro-sphingosineSphingosineME4701215280335C00319-204
dihydro-3-coumaric acid3-(3-Hydroxyphenyl)propanoic acidME47012491C11457-192
dihydrocholesterolDihydrocholesterolME47012566066C12978-215
docosahexaenoic acidDocosahexaenoic acidME470126445580C06429-91
dodecanolDodecanolME4701278193C02277-243
enolpyruvatePhosphoenolpyruvic acidME4701281005C00074-217
enterolactoneEnterolactoneME470129114739C18165-180
epicatechinEpicatechinME47013072276C09727-368
epsilon-caprolactamEpsilon-caprolactamME4701317768C06593-170
ferulic acidtrans-Ferulic acidME470132445858C01494-338
fructoseFructoseME470133439709C02336-307
fructose-6-phosphateFructose 6-phosphateME470134440641C05345-315
fucoseFucoseME470135439650C02095-160
fumaric acidFumaric acidME47013621883788C00122-245
galactinolGalactinolME47013711727586No result-204
galactose-6-phosphateGalactose 6-phosphateME470138439404C01113-387
galacturonic acidGalacturonic acidME470139441476C08348-333
gamma-tocopherolgamma-TocopherolME47014092729C02483-223
gluconic acidGluconic acidME4701416857417C00800-333
glucoseGlucoseME47014264689C00221-319
glucose-6-phosphateGlucose 6-phosphateME4701435958C00092-387
glutamic acidGlutamic acidME47014433032C00025-246
glutamineGlutamineME4701455961C00064-156
glutaric acidGlutaric acidME47014623322899C00489-261
glyceric acidGlyceric acidME470147439194C00258-189
glycerolGlycerolME470148753C00116-205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME470149754C03189-357
glycolic acidGlycolic acidME4701503698251C00160-177
glycyl-prolineGly-ProME4701513013625No result-174
guanidinosuccinateGuanidinosuccinic acidME470152439918C03139-328
guanineGuanineME470153764C00242-352
heptadecanoic acidMargaric acidME47015410465No result-117
hexadecylglycerolMG O-16:0ME47015572733C13859-205
hexuronic acidHexuronic acidME470156152867No result-160
homocystineDL-HomocystineME47015710010C01817-128
homoserineHomoserineME47015812647C00263-218
hydroxycarbamateHydroxycarbamic acidME470159-No result-278
hydroxylamineHydroxylamineME470160787C00192-146
indole-3-acetateIndoleacetic acidME470161802C00954-202
indole-3-propionic acid3-Indolepropionic acidME4701623744No result-202
inositol-4-monophosphateInositol 4-phosphateME470163440043No result-315
isoheptadecanoic acid15-Methylpalmitic acidME470164164860No result-117
isoleucineIsoleucineME4701656306C00407-158
isolinoleic acid-ME4701665312483No result-156
isopentadecanoic acidIsopentadecylic acidME470167151014No result-117
isopropylbenzeneIsopropylbenzeneME4701687406C14396-105
isothreonic acidD-Threonic acidME470169151152No result-292
ketohexoseKetohexoseME47017090008No result-307
lactic acidLactic acidME47017119789253C01432-191
lactoseLactoseME47017284571No result-191
lanosterolLanosterolME470173246983C01724-393
lauric acidLauric acidME4701743893C02679-117
leucineLeucineME4701756106C00123-158
levoglucosanGlucosanME4701762724705No result-204
linoleic acidLinoleic acidME4701775280450C01595-150
linolenic acidOctadecatrienoic acidME4701785280934C06427-108
lysineLysineME4701795962C00047-317
maleic acidMaleic acidME470180444266C01384-245
maleimideMaleimideME47018110935C07272-154
malic acidMalic acidME47018220130941C00711-233
malonic acidMalonic acidME47018323511544C00383-233
maltoseMaltoseME470184439186C00208-204
maltotrioseMaltotrioseME470185439586C01835-361
mannonic acidMannonic acidME4701863246006C00514-333
methylmaleic acidCitraconic acidME470187643798C02226-259
mucic acidGalactaric acidME4701883037582C00879-333
myo-inositolMyo-inositolME470189892No result-305
myristic acidMyristic acidME47019011005C06424-285
N-acetylaspartic acidN-Acetylaspartic acidME47019465065C01042-158
N-acetyl-D-galactosamineN-AcetylgalactosamineME470191440552C05021-319
N-acetyl-d-hexosamineN-AcetylhexosamineME47019224139C03878-319
N-acetyl-D-mannosamineN-Acetyl-mannosamineME470193439281C00645-319
N-acetylglutamateN-Acetylglutamic acidME47019570914C00624-216
N-acetylornithineN-AcetylornithineME470196439232C00437-174
N-acetylputrescineN-AcetylputrescineME470197122356C02714-174
nicotianamine(R,S,S)-NicotianamineME47019849852318C05324-186
nicotinic acidNicotinic acidME470199938C00253-180
nonadecenoic acidNonadecenoic acidME4702005312512No result-117
norvalineNorvalineME47020165098C01826-144
O-acetylserineO-AcetylserineME4702026971051C00979-174
octadecanolStearyl alcoholME4702038221D01924-327
octadecylglycerolMG O-18:0ME4702043681C13858-205
oleic acidOleic acidME470205445639C00712-339
ornithineOrnithineME4702066262C00077-142
orotic acidOrotic acidME470207967C00295-254
palmitic acidPalmitic acidME470208985C00249-313
pelargonic acidPelargonic acidME4702098158C01601-215
pentadecanoic acidPentadecylic acidME47021013849C16537-117
pentoseGalacturonic acidME470211229No result-103
phenolPhenolME47021220488062C00146-151
phenylacetic acidPhenylacetic acidME470213999C07086-164
phenylethylaminePhenylethylamineME4702141001C05332-174
phosphatePhosphoric acidME4702151004C00009-314
phosphoethanolaminePhosphoethanolamineME4702161015C00346-299
phytanic acidPhytanic acidME47021710380830No result-159
phytolPhytolME4702185280435C01389-143
phytosphingosinePhytosphingosineME470219122121C12144-204
pimelic acidPimelic acidME470220385C02656-155
piperidone2-PiperidinoneME47022112665No result-156
pseudouridinePseudouridineME47022215047C02067-217
pyruvic acidPyruvic acidME4702231060C00022-174
quinic acidQuinic acidME4702246508No result-345
raffinoseRaffinoseME470225439242C00492-361
riboseRiboseME4702265779C00121-217
saccharopineSaccharopineME470227160556C00449-357
salicylic acidSalicylic acidME470228338C00805-267
secoisolariciresinolSecoisolariciresinolME47022965373C18167-209
shikimic acidShikimic acidME4702308742C00493-204
sophoroseSophoroseME470231441432C08250-307
sorbitolSorbitolME4702325780C00794-217
spermidineSpermidineME4702331102C00315-144
stearic acidStearic acidME4702345281C01530-117
succinate semialdehydeSuccinic acid semialdehydeME4702351112C00232-113
sucroseSucroseME4702365988C00089-271
tagatoseD-TagatoseME470237439312C00795-307
tartaric acidTartaric acidME470238444305C00898-292
threitolThreitolME470239169019C16884-217
threonic acidThreonic acidME4702405460407C01620-292
threonineThreonineME4702416288C00188-218
thymidineThymidineME4702425789C00214-170
thymineThymineME4702431135C00178-255
tocopherol acetateTocopherol acetateME47024486472C13202-164
trans-4-hydroxyprolinetrans-4-HydroxyprolineME4702455810C01157-158
trehaloseTrehaloseME4702467427C01083-191
tyrosineTyrosineME4702476057C00082-218
tyrosolTyrosolME47024810393C06044-179
UDP-glucuronic acidUDP-glucuronic acidME47024917473C00167-217
uracilUracilME4702501174C00106-241
ureaUreaME4702511176C00086-189
uric acidUric acidME4702521175C00366-441
uridineUridineME4702536029C00299-224
vanillic acidVanillic acidME4702548468C06672-297
xanthineXanthineME4702551188C00385-353
xanthosineXanthosineME47025664959C01762-325
xyloseXyloseME470257135191C00181-103
xyluloseXyluloseME470258439205C00312-173


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