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Analysis: GCMS positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
xyloseXyloseME000001135191C00181542808103
xylonic acidXylonic acidME0000026602431C00502588743292
xylitolXylitolME0000036912C00379563718217
valineValineME0000046287C00183313224144
tyrosineTyrosineME0000056057C00082671085218
tyramineTyramineME0000065610C00483664065174
tryptophanTryptophanME0000076305C00078779834202
tris(ethyleneglycol) NIST ID - likely artifact-ME000008--471814117
trehaloseTrehaloseME0000097427C01083947837191
threonineThreonineME0000106288C00188409403117
threonic acidThreonic acidME000011151152C01620497167292
sucroseSucroseME0000125988C00089915457271
succinic acidSuccinic acidME0000131110C00042370518147
suberyl glycineSuberylglycineME0000146453952-532293188
stearic acidStearic acidME0000155281C01530787358117
spermidineSpermidineME0000161102C00315792258144
shikimic acidShikimic acidME0000178742C00493610984204
serineSerineME0000185951C00065394656204
ribitolRibitolME0000196912C00474572822217
raffinoseRaffinoseME000020439242C004921121372361
pyrogallol1,2,3-TrihydroxybenzeneME0000211057C01108494984239
putrescinePutrescineME0000221045C00134587728174
prolineProlineME000023145742C00148364232142
phytolPhytolME000024145386C01389761377143
phosphoric acidPhosphoric acidME0000251004C00009344674299
phosphoethanolaminePhosphoethanolamineME0000261015C00346604454100
phenylalaninePhenylalanineME0000276140C00079537760218
pelargonic acidPelargonic acidME0000288158C01601399163117
palmitic acidPalmitic acidME000029985C00249713542313
oxoprolineOxoprolineME0000307405C01879486399156
oxalic acidOxalic acidME000031971C00209259625147
ornithineOrnithineME0000326262C00077527822142
nicotinic acidNicotinic acidME000033938C00253354525180
myristic acidMyristic acidME00003411005C06424634543285
monopalmitin-1-glycerideMG 16:0/0:0/0:0ME00003514900-901207371
methionineMethionineME0000366137C00073483425176
methionie sulfoxideMethionineME000037158980C02989605961128
melibioseMelibioseME000038440658C05402981832204
maltoseMaltoseME000039439186C00208946798361
malateMalic acidME000040222656C00149462908233
lyxitolL-ArabitolME00004194154C00532575571217
linolenic acidOctadecatrienoic acidME0000425280934C06427779785108
linoleic acidLinoleic acidME0000435280450C01595777102337
leucineLeucineME0000446106C00123345953158
lauric acidLauric acidME0000453893C02679547810117
lactobionic acidLactobionic acidME0000467314-952195204
lactic acidLactic acidME000047107689C00186216442117
isopropyl beta-D-thiogalactopyranosideIsopropyl beta-D-thiogalactosideME000048656894-720878361
isoleucineIsoleucineME0000496306C00407358756158
inulobioseInulobioseME00005025201864C01711930708204
inositol-4-monophosphateInositol 4-phosphateME0000516349C03546845491318
inositol myo-Myo-inositolME000052892C00137729867305
hydroxylamineHydroxylamineME000053787C00192255313146
glycolic acidGlycolic acidME000054757C00160227487177
glycineGlycineME000055750C00037368041174
glycerol-beta-phosphatesn-Glycero-2-phosphateME0000562526C02979574994211
glycerol-alpha-phosphatesn-Glycero-3-phosphateME000057754C03189591357299
glyceric acidGlyceric acidME000058439194C00258377001189
glutamineGlutamineME0000595961C00064600452156
glutamic acidGlutamic acidME00006033032C00025529370246
glucose-6-phosphateGlucose 6-phosphateME0000615958C00092809066387
glucose-1-phosphateGlucose 1-phosphateME00006265533C11450594823217
glucoseGlucoseME0000635793C00031649920160
gluconic acidGluconic acidME00006410690C00257693140333
glucoheptuloseGlucoheptuloseME000065102926-828610331
galactose-6-phosphate_200536Galactose 6-phosphateME00006699058C01113828457387
galactose-6-phosphate_199932Galactose 6-phosphateME00006799058C01113817783387
galactonic acidGalactonic acidME00006812310779C00880692399292
galactinolGalactinolME00006911727586C012351017113204
fumarateFumaric acidME000070444972C00122390988245
fructose-6-phosphateFructose 6-phosphateME00007169507C00085804605315
fructoseFructoseME0000725984C00095638631307
erythronic acidErythronic acidME0000732781043-512521218
dehydroascorbateL-Dehydroascorbic acidME000074210328C00425633331173
cyano-L-alanineCyanoalanineME00007513538C02512404014141
citrullineCitrullineME0000769750C00327622791256
citric acidCitric acidME000077311C00158617288273
cis-sinapinic acidcis-Sinapic acidME0000781549091-718366338
capric acidCapric acidME0000792969C01571451122117
beta-gentiobiosebeta-GentiobioseME000080219994C08240967919204
beta alaninebeta-AlanineME000081239C00099435138174
aspartic acidAspartic acidME0000825960C00049480543232
asparagineAsparagineME0000836267C00152553791116
ascorbic acidVitamin CME00008454670067C00072673155332
arginine + ornithineArginineME0000856322C00062619420142
arabinoseArabinoseME0000867044039C00216546892217
alpha ketoglutaric acid2-Oxoglutaric acidME00008751C00026507734198
alanineAlanineME0000885950C00041243537116
agmatineAgmatineME000089199C00179587051157
adipic acidAdipic acidME000090196C06104475399111
adenosine-5-monophosphateAMPME0000916083C000201040943169
adenosineAdenosineME00009260961C00212917818236
N-acetyl-D-mannosamineN-Acetyl-mannosamineME00009311096158C00645733793205
N-acetyl-D-hexosamineN-AcetylhexosamineME00009424139C03136746708103
3-phosphoglycerate3-Phosphoglyceric acidME000095724C00597611619299
1-monostearinMG 18:0/0:0/0:0ME000096107036D01947959625399
1,2,4-benzenetriol1,2,4-TrihydroxybenzeneME00009710787C02814522741239
2-hydroxyvaleric acid2-Hydroxyvaleric acidME00009898009-310750131
methionine sulfoxideMethionine sulfoxideME000407847C02989637775128
5-hydroxynorvaline NISTL-2-Amino-5-hydroxypentanoic acidME00183495562-494838142
idonic acid NIST-ME001856193325-698217333
mannonic acid NISTMannonic acidME0018663246006C00514689431333


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