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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-TrihydroxybenzeneME46573710787C02814-239
1,3-diaminopropane1,3-DiaminopropaneME465736428C00986-174
2,3-dihydroxybutanoic acid2,3-Dihydroxybutanoic acidME465731250402--292
2,3-dihydroxypyridine2,3-DihydroxypyridineME46573028115--240
2,5-dihydroxypyrazine2,5-DihydroxypyrazineME46572923368901--241
2-hydroxyglutaric acid2-Hydroxyglutaric acidME46572843C02630-247
2-hydroxyvaleric acid2-Hydroxyvaleric acidME46572798009--131
alpha-ketoglutarate2-Oxoglutaric acidME46570051C00026-198
butyrolactam2-PyrrolidinoneME46568512025--142
3-aminoisobutyric acid3-Aminoisobutanoic acidME46572064956C05145-248
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME4657181662C03761-247
4-aminobutyric acid4-Aminopentanoic acidME465714119C00334-304
4-hydroxybenzoate4-Hydroxybenzoic acidME465713135C00156-223
4-hydroxybutyric acid4-Hydroxybutyric acidME46571210413C00989-233
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME465711439176C00170-236
6-deoxyglucitol6-DeoxyglucitolME465710151266--117
adenineAdenineME465707190C00147-264
adenosineAdenosineME46570660961C00212-236
adipic acidAdipic acidME465705196C06104-111
agmatineAgmatineME465704199C00179-314
alanineAlanineME4657035950C00041-116
allantoic acidAllantoic acidME465702203C00499-331
alpha-aminoadipic acidalpha-Aminoadipic acidME46570192136C00956-260
tocopherol alpha-alpha-TocopherolME46554514985C02477-237
aminomalonateAminomalonic acidME465699100714C00872-218
arabitolArabitolME46569894154C01904-103
pentitolArabitolME465580827D00061-307
ecosanolArachidyl alcoholME46567012404--103
asparagineAsparagineME4656966267C00152-231
aspartic acidAspartic acidME4656955960C00049-232
azelaic acidAzelaic acidME46569419347555C08261-317
beta-alaninebeta-AlanineME465693239C00099-248
beta-gentiobiosebeta-GentiobioseME465692441422C08240-160
biphenylBiphenylME4656887095C06588-154
biuretBiuretME465687134490C03283-171
butylamineButylamineME4656868007C18706-174
cadaverineCadaverineME465684273--174
cerotinic acidCerotic acidME46568310469--145
cholesterolCholesterolME4656825997C00187-129
aconitic acidcis-Aconitic acidME465708643757C00417-229
cis-sinapinic acidcis-Sinapic acidME4656811549091C00482-338
methylmaleic acidCitraconic acidME465598643798C02226-259
citramalic acidCitramalic acidME4656801081C00815-247
citric acidCitric acidME465679311C00158-273
citrullineCitrullineME4656789750C00327-157
conduritol-beta-expoxideConduritol epoxideME4656779989541--318
coniferinConiferinME4656765280372C00761-324
cyanoalanineCyanoalanineME46567518647689--141
cytidineCytidineME465674---223
dehydroascorbic acidDehydroascorbic acidME465673440667C05422-173
2-ketoglucose dimethylacetalD-GlucosoneME465725159630--234
dihydroxyacetoneDihydroxyacetoneME465672670C00184-89
homocystineDL-HomocystineME46563410010C01817-128
isoriboseD-RibopyranoseME46562310975657--217
tagatoseD-TagatoseME465550439312C00795-307
isothreonic acidD-Threonic acidME465622151152C00639-292
xylonolactoneD-Xylono-1,5-lactoneME465529439692C02266-217
erythritolErythritolME465669222285C00503-217
erythronic acidErythronic acidME4656682781043--217
erythronic acid lactone isomerErythrono-1,4-lactoneME4656675325915C02341-247
erythroseErythroseME465666439574C01796-205
ethanolamineEthanolamineME465665700C00189-174
fructoseFructoseME465663439709C02336-307
fructose-6-phosphateFructose 6-phosphateME465662440641C05345-315
fucoseFucoseME465661439650C02095-160
fumaric acidFumaric acidME465660444972C00122-245
mucic acidGalactaric acidME4655973037582C00879-333
galactinolGalactinolME46565911727586C01235-204
galactonic acidGalactonic acidME465658128869C00880-292
galactose-6-phosphateGalactose 6-phosphateME465657439404C01113-387
glycerol-3-galactosideGalactosylglycerolME46564316048618C05401-204
galacturonic acidGalacturonic acidME465656441476C08348-333
pentoseGalacturonic acidME465579229--103
tocopherol gamma-gamma-TocopherolME46554492729C02483-223
saccharic acidGlucaric acidME46556233037C00818-333
glucoheptuloseGlucoheptuloseME4656555459879C02076-217
gluconic acidGluconic acidME4656546857417C00800-333
gluconic acid lactoneGluconolactoneME4656537027C00198-220
levoglucosanGlucosanME4656152724705--204
glucoseGlucoseME46565264689C00221-319
glucose-1-phosphateGlucose 1-phosphateME46565165533C00103-217
glucose-6-phosphateGlucose 6-phosphateME4656505958C00092-387
glucuronic acidGlucuronic acidME46564994715C00191-333
glutamic acidGlutamic acidME46564833032C00025-246
glutamineGlutamineME4656475961C00064-156
glutaric acidGlutaric acidME465646743C00489-261
glyceric acidGlyceric acidME465645752C00258-189
glycerolGlycerolME465644753C00116-205
glycineGlycineME465641750C00037-248
glycolic acidGlycolic acidME465640757C00160-177
glycyl-prolineGly-ProME4656383013625--174
glycyl tyrosineGly-TyrME46563992829--174
guanineGuanineME465637764C00242-352
guanosineGuanosineME4656366802C00387-324
neohesperidinHesperetin 7-neohesperidosideME465592442439--273
homoglutamineHomoglutamineME4656339905942--170
homoserineHomoserineME46563212647C00263-218
hydroquinoneHydroquinoneME465631785C00530-239
3-hydroxypropionic acidHydroxypropionic acidME46571768152C01013-177
hypotaurineHypotaurineME465630107812C00519-188
hypoxanthineHypoxanthineME465629790C00262-265
ile-ileIle-IleME4656287010568C12H24N2O3-158
inositol-4-monophosphateInositol 4-phosphateME465627440043C03546-315
isocitric acidIsocitric acidME4656265318532C00451-245
isoleucineIsoleucineME4656256306C00407-158
isomaltoseIsomaltoseME465624439193C00252-160
2-ketoisocaproic acidKetoleucineME46572470C00233-89
lactic acidLactic acidME465621612C01432-191
lactitolLactitolME465620157355C13542-361
lactobionic acidLactobionic acidME4656197314C04247-204
lactoseLactoseME465618440995C00243-191
lyxitolL-ArabitolME465609439255C00532-217
lauric acidLauric acidME4656173893C02679-117
leucineLeucineME4656166106C00123-158
tetracosaneLignoceraneME46554912592--85
lignoceric acidLignoceric acidME46561411197C08320-132
linoleic acidLinoleic acidME4656135280450C01595-337
lysineLysineME4656105962C00047-317
maleic acidMaleic acidME465608444266--245
maleimideMaleimideME46560710935C07272-154
malic acidMalic acidME465606525C00711-233
malonic acidMalonic acidME465605867C00383-233
maltoseMaltoseME465604439186C00208-204
heptadecanoic acidMargaric acidME46563510465--117
melibioseMelibioseME465603440658C05402-361
methanolphosphateMethanolphosphateME46560213130--241
methionineMethionineME4656016137C00073-176
methionine sulfoxideMethionine sulfoxideME46560010062737C15998-128
methyl O-D-galactopyranosideMethyl beta-D-galactosideME46559994214C03619-204
2-monooleinMG 0:0/18:1(9Z)/0:0ME4657235319879--129
1-monopalmitinMG 16:0/0:0/0:0ME46573314900--371
1-monostearinMG 18:0/0:0/0:0ME46573224699D01947-203
1-monooleinMG 18:1(9Z)/0:0/0:0ME4657345283468--129
myo-inositolMyo-inositolME465596892C00137-305
myristic acidMyristic acidME46559511005C06424-285
N-acetyl-D-galactosamineN-AcetylgalactosamineME465594440552C05021-319
N-acetylmannosamineN-Acetyl-mannosamineME465593439281C00645-319
4',5-dihydroxy-7-glucosyloxyflavanoneNaringenin 7-O-beta-D-glucosideME46571692794C09099-169
nicotinamideNiacinamideME465590936C00153-179
nicotinic acidNicotinic acidME465589938C00253-180
O-acetylserineO-AcetylserineME46558799478C00979-174
linolenic acidOctadecatrienoic acidME4656115280934C06427-108
oleic acidOleic acidME465586445639C00712-339
ornithineOrnithineME4655856262C00077-142
2-ketoadipic acidOxoadipic acidME46572671C00322-100
oxoprolineOxoprolineME4655847405--156
palmitic acidPalmitic acidME465583985C00249-313
palmitoleic acidPalmitoleic acidME465582445638C08362-311
4-aminobenzoic acidp-Aminobenzoic acidME4657157057990C00568-266
pelargonic acidPelargonic acidME4655818158C01601-215
phenylalaninePhenylalanineME4655786140C00079-192
phenylethylaminePhenylethylamineME4655771001C05332-174
phosphoethanolaminePhosphoethanolamineME4655751015C00346-299
phosphatePhosphoric acidME4655761004C00009-314
phytolPhytolME4655745280435C01389-143
2-picolinic acidPicolinic acidME4657221018C10164-180
pipecolinic acidPipecolic acidME4655736931662--156
prolineProlineME465572145742C00148-142
propyleneglycolPropylene glycolME465571259994--117
3,4-dihydroxybenzoic acidProtocatechuic acidME46572172C00230-193
pseudo uridinePseudouridineME46557015047C02067-217
putrescinePutrescineME4655691045C00138-174
3-Aminopiperidine-2,6-dionePyroglutamineME465719134508--156
pyrophosphatePyrophosphateME4655681023C00013-110
6-deoxyglucoseQuinovoseME465709441480C08352-117
raffinoseRaffinoseME465567439242C00492-361
ribitolRibitolME465566827C00474-217
ribonic acidRibonic acidME4655655460677C01685-292
riboseRiboseME4655645779C00121-217
ribose-5-phosphateRibose 5-phosphateME465563439167C00117-315
nicotianamine(R,S,S)-NicotianamineME4655919882882C05324-186
salicylic acidSalicylic acidME465561338C00805-267
scopoletinScopoletinME4655605280460C01752-234
serineSerineME4655595951C00065-204
shikimic acidShikimic acidME4655588742C00493-204
sinapinic acidSinapic acidME465557637775C00482-338
beta-sitosterolSitosterolME465689222284C01753-129
beta-glycerolphosphatesn-Glycero-2-phosphateME4656912526C02979-243
glycerol-alpha-phosphatesn-Glycero-3-phosphateME465642754C03189-357
sorbitolSorbitolME4655565780C00794-217
spermidineSpermidineME4655551102C00315-144
spermineSpermineME4655541103C00750-116
stigmasterolStigmasterolME4655535280794C05442-255
succinic acidSuccinic acidME4655521110C00042-247
sucroseSucroseME4655515988C00089-271
threonic acidThreonic acidME4655485460407C01620-292
threonineThreonineME4655476288C00188-218
thymidineThymidineME4655465789C00214-170
ferulic acidtrans-Ferulic acidME465664445858C01494-338
trehaloseTrehaloseME4655437427C01083-191
tryptophanTryptophanME4655416305C00078-202
tyramineTyramineME4655405610C00483-174
tyrosineTyrosineME4655396057C00082-218
tyrosolTyrosolME46553810393C06044-179
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME465537445675C00043-226
uracilUracilME4655361174C00106-241
ureaUreaME4655351176C00086-189
uric acidUric acidME4655341175C00366-441
uridineUridineME4655336029C00299-217
valineValineME4655326287C00183-144
ascorbic acidVitamin CME46569754670067C00072-332
xylonic acidXylonic acidME4655316602431C00502-333
xylonic acid isomerXylonic acidME46553010264C02341-189
xyloseXyloseME465528135191C00181-103
xyluloseXyluloseME465527439205C00312-173
1-methylgalactose-ME4657352108--204
beta-mannosylglycerate-ME4656905460194C11544-204
dihydroxymalonic acid-ME46567168412--307
linoleic acid methyl ester-ME4656125284421--93
N-methylethanolamine-ME4655888016--116
triacontanol-ME46554268972--496


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