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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 NISTXyluloseME397207439205C00312-173
xyloseXyloseME397208135191C00181-103
xylonolactone NISTD-Xylono-1,5-lactoneME397209439692C02266-217
isoxylonic acid-ME39721010264C02341-189
xylitolXylitolME3972116912C00379-217
xanthosineXanthosineME39721264959C01762-325
xanthineXanthineME3972131188C00385-353
valineValineME3972146287C00183-144
uridineUridineME3972156029C00299-217
uric acidUric acidME3972161175C00366-441
ureaUreaME397217---189
uracilUracilME3972181174C00106-241
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME397219445675C00043-226
UDP-glucuronic acidUDP-glucuronic acidME39722017473C00167-217
tyrosineTyrosineME3972216057C00082-218
tryptophanTryptophanME3972226305C00078-202
trehaloseTrehaloseME397223---191
trans-4-hydroxyprolinetrans-4-HydroxyprolineME3972245810C01157-158
alpha-tocopherolalpha-TocopherolME397225638015C00376-237
threonineThreonineME3972266288C00188-218
threonic acidThreonic acidME3972275460407C01620-292
taurineTaurineME3972281123C00245-326
sulfuric acidTG 16:0_18:1_18:1ME3972291118C00059-227
sucroseSucroseME3972305988C00089-361
succinic acidSuccinic acidME3972311110C00042-247
succinate semialdehydeSuccinic acid semialdehydeME3972321112C00232-113
stearic acidStearic acidME3972335281C01530-117
squaleneSqualeneME397234638072C00751-95
spermidineSpermidineME3972351102C00315-174
sorbitolSorbitolME3972365780C00794-217
sophoroseSophoroseME397237441432C08250-307
shikimic acidShikimic acidME3972388742C00493-204
serineSerineME3972395951C00065-218
ribulose-5-phosphateRibulose 5-phosphateME397240439184C00199-357
ribose-5-phosphateRibose 5-phosphateME397241439167C00117-315
riboseRiboseME3972425779C00121-217
ribonic acidRibonic acidME3972435460677C01685-292
ribitolRibitolME397244827C00474-217
raffinoseRaffinoseME397245439242C00492-361
pyruvic acidPyruvic acidME3972461060C00022-174
pyrophosphatePyrophosphateME3972471023C00013-110
propoxycarbonylglycine, ethyl ester NIST-ME397248---116
prolineProlineME397249145742C00148-142
pipecolinic acidPipecolic acidME3972506931662--156
phthalic acidPhthalic acidME3972511017C01606-147
phosphogluconic acidPhosphogluconic acidME39725291493C00345-299
phosphoethanolaminePhosphoethanolamineME3972531015C00346-299
phosphatePhosphoric acidME3972541004C00009-314
phenylethylaminePhenylethylamineME3972551001C05332-174
phenylalaninePhenylalanineME3972566140C00079-218
pelargonic acidPelargonic acidME3972578158C01601-117
parabanic acid NISTParabanic acidME39725867126C00802-100
pantothenic acidPantothenic acidME3972596613C12276-291
palmitoleic acidPalmitoleic acidME397260445638C08362-311
palmitic acidPalmitic acidME397261985C00249-313
oxoprolineOxoprolineME3972627405C01879-156
oxalic acidOxalic acidME397263971C00209-190
orotic acidOrotic acidME397264967C00295-254
ornithineOrnithineME3972656262C00077-142
oleic acidOleic acidME397266445639C00712-339
oleamide NISTOleamideME3972675283387C19670-144
octadecanolStearyl alcoholME3972688221--327
N-methylalanineN-MethylalanineME397269-C02721-130
nicotinamideNiacinamideME397270936C00153-179
N-acetylmannosamineN-Acetyl-mannosamineME397271439281C00645-319
n-acetylglutamateN-Acetylglutamic acidME39727270914C00624-158
N-acetyl-D-mannosamineN-Acetyl-mannosamineME397273---205
n-acetyl-d-hexosamineN-AcetylhexosamineME39727424139C03878-319
N-acetyl-D-galactosamineN-Acetyl-D-galactosamineME397275---202
N-acetyl-aspartic acidN-Acetylaspartic acidME39727665065C01042-158
myristic acidMyristic acidME39727711005C06424-285
myo-inositolMyo-inositolME397278892C00137-305
methionineMethionineME3972796137C00073-176
methanolphosphateMethanolphosphateME39728013130--241
melezitoseMelezitoseME39728192817C08243-361
mannoseMannoseME39728218950C00159-205
maltotrioseMaltotrioseME397283439586C01835-361
maltoseMaltoseME397284439186C00208-204
malic acidMalic acidME397285525C00711-233
maleimideMaleimideME39728610935C07272-154
lyxoseLyxoseME397287439240C00476-217
lysineLysineME3972885962C00047-156
linolenic acidOctadecatrienoic acidME3972895280934C06427-108
linoleic acidLinoleic acidME3972905280450C01595-150
levoglucosanGlucosanME3972912724705--204
leucineLeucineME3972926106C00123-158
lauric acidLauric acidME3972933893C02679-117
lactoseLactoseME397294440995C00243-191
lactitolLactitolME397295157355C13542-361
lactic acidLactic acidME397296612C01432-191
lactamideLactamideME39729794220--232
isothreitolThreitolME397298169019C16884-217
isomaltoseIsomaltoseME397299439193C00252-160
isoleucineIsoleucineME3973006306C00407-158
isohexonic acid-ME397301604--333
inositol-4-monophosphateInositol 4-phosphateME397302440043C03546-315
inosine 5'-monophosphateIMPME3973038582C00130-169
inosineInosineME3973046021C00294-230
hypoxanthineHypoxanthineME397305790C00262-265
hydroxylamineHydroxylamineME397306787C00192-146
homoserineHomoserineME39730712647C00263-218
histidineHistidineME3973086274C00135-154
hexuronic acidHexuronic acidME397309152867--160
hexose-6-phosphateHexose 6-phosphateME397310208C02965-387
hexitolSorbitolME397311453C00392-217
heptadecanoic acidMargaric acidME39731210465--117
guanosineGuanosineME3973136802C00387-324
glycyl-prolineGly-ProME3973143013625--174
glycolic acidGlycolic acidME397315757C00160-177
glycineGlycineME397316750C00037-248
glycerol-alpha-phosphatesn-Glycero-3-phosphateME397317754C03189-357
glycerol-3-galactosideGalactosylglycerolME39731816048618C05401-204
glycerolGlycerolME397319753C00116-205
glutathioneGlutathioneME397320124886C00051-213
glutaric acidGlutaric acidME397321743C00489-261
glutamineGlutamineME3973225961C00064-156
glutamic acidGlutamic acidME39732333032C00025-246
glucose-6-phosphateGlucose 6-phosphateME3973245958C00092-387
glucose-1-phosphateGlucose 1-phosphateME39732565533C00103-217
glucoseGlucoseME39732664689C00221-319
gluconic acidGluconic acidME3973276857417C00800-333
galactose-6-phosphateGalactose 6-phosphateME397328439404C01113-387
galactonic acidGalactonic acidME397329128869C00880-292
fumaric acidFumaric acidME397330444972C00122-245
fructose-6-phosphateFructose 6-phosphateME397331440641C05345-315
fructose-1-phosphateFructose 1-phosphateME397332439394C01094-387
fructoseFructoseME397333439709C02336-307
ethanolamineEthanolamineME397334700C00189-174
docosahexaenoic acidDocosahexaenoic acidME397335---91
dihydroxyacetoneDihydroxyacetoneME397336670C00184-89
dihydrocholesterolDihydrocholesterolME39733766066C12978-215
dehydroascorbic acidL-Dehydroascorbic acidME397338440667C05422-173
dehydroabietic acidDehydroabietic acidME39733994391C12078-239
cysteine-glycineCys-GlyME397340439498C01419-220
cysteineCysteineME3973415862C00097-220
cyclohexylamineCyclohexylamineME3973427965C00571-128
creatinineCreatinineME397343588C00791-115
citric acidCitric acidME397344311C00158-273
cis-gondoic acidcis-Gondoic acidME3973455282768C16526-367
cholesterolCholesterolME3973465997C00187-129
cellobioseCellobioseME3973476255C01971-204
capric acidCapric acidME3973482969C01571-229
beta-sitosterolSitosterolME397349222284C01753-129
beta-alaninebeta-AlanineME397350239C00099-248
benzoic acidBenzoic acidME397351243C00180-179
behenic acidBehenic acidME3973528215C08281-117
aspartic acidAspartic acidME3973535960C00049-232
asparagineAsparagineME3973546267C00152-188
ascorbic acidVitamin CME39735554670067C00072-332
arachidonic acidArachidonic acidME397356444899C00219-91
arachidic acidArachidic acidME39735710467C06425-117
arabitolArabitolME39735894154C01904-217
aminomalonateAminomalonic acidME397359100714C00872-218
altrose-ME397360---157
alpha-ketoglutarate2-Oxoglutaric acidME39736151C00026-198
alpha-aminoadipic acidalpha-Aminoadipic acidME397362---260
allantoic acidAllantoic acidME397363---259
alanineAlanineME3973645950C00041-116
adenosine-5-monophosphateAMPME3973656083C00020-169
adenosineAdenosineME39736660961C00212-236
adenineAdenineME397367190C00147-264
5-methoxytryptamine5-MethoxytryptamineME3973681833C05659-174
5-aminovaleric acid5-Aminopentanoic acidME397369138C00431-174
4-hydroxyhippuric acid NIST4-Hydroxyhippuric acidME397370151012--294
4-hydroxybutyric acid4-Hydroxybutyric acidME39737110413C00989-233
4',5-dihydroxy-7-glucosyloxyflavanoneNaringenin 7-O-beta-D-glucosideME39737292794C09099-361
3-phosphoglycerate3-Phosphoglyceric acidME397373724C00597-227
3-hydroxybutyric acid3-Hydroxybutyric acidME39737492135C01089-191
3-aminoisobutyric acid3-Aminoisobutanoic acidME39737564956C05145-102
2-monooleinMG 0:0/18:1(9Z)/0:0ME3973765319879--129
2-ketobutyric acid3-Methyl pyruvic acidME39737758C00109-89
2-hydroxyglutaric acid2-Hydroxyglutaric acidME39737843C02630-247
2-hydroxybutanoic acid2-Hydroxybutyric acidME397379440864C05984-131
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME39738023368901--241
1-monostearinMG 18:0/0:0/0:0ME39738124699D01947-203
1-monopalmitinMG 16:0/0:0/0:0ME39738214900C01885-129
1,5-anhydroglucitol1,5-AnhydrosorbitolME39738364960C07326-217


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