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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
3-aminoisobutyric acid3-Aminoisobutanoic acidME64127664956C01205309799102
arabitolArabitolME641288827C01904566749103
sorbitolSorbitolME641390453C00794667682103
xyloseXyloseME641410135191C00181542808103
hydrocinnamic acidHydrocinnamic acidME641338107C05629435417104
acetophenone NISTAcetophenoneME6412827410C07113238719105
lanosterolLanosterolME641351856C017241128745109
adipic acidAdipic acidME641283196C06104475399111
creatinineCreatinineME641305588C00791502434115
alanineAlanineME6412845950C00041243537116
asparagineAsparagineME6412926267C00152553791116
arachidic acidArachidic acidME64128910467C06425856203117
behenic acidBehenic acidME6412948215C08281919675117
cerotic acidCerotic acidME64130110469-1032431117
fucose 1 + rhamnose 2D-FucoseME64131419466C01018577861117
fucose 2FucoseME64131594270C01019584612117
heptadecanoic acidMargaric acidME64133610465-750645117
lactic acidLactic acidME641350107689C00186216442117
lauric acidLauric acidME6413523893C02679547810117
lignoceric acidLignoceric acidME64135611197C08320977850117
nonadecanoic acidNonadecylic acidME64137012591C16535822744117
pelargonic acidPelargonic acidME6413798158C01601399163117
stearic acidStearic acidME6413925281C01530787358117
threonineThreonineME6413986288C00188409403117
homoserineHomoserineME64133712647C00263444264128
methionine sulfoxideMethionine sulfoxideME641364847C02989637775128
naphtaleneNaphthaleneME641368931C00829315496128
1-monooleinMG 18:1(9Z)/0:0/0:0ME6412695319879-952993129
2-hydroxyglutaric acid2-Hydroxyglutaric acidME64127243C02630506359129
beta-sitosterolSitosterolME64129922012C017531129771129
cholesterolCholesterolME6413025997C001871077630129
icosenoic acidcis-Gondoic acidME6413415282768-848697129
palmitoleic acidPalmitoleic acidME641378445638C08362706298129
N-methylalanineN-MethylalanineME6413695288725C02721286258130
2-hydroxybutanoic acid2-Hydroxybutyric acidME64127111266C05984258175131
pentadecanoic acidPentadecylic acidME64138013849C16537674704132
cyano-L-alanineCyanoalanineME64130613538C02512404014141
arginine + ornithineArginineME6412916322C00062619420142
ornithineOrnithineME6413736262C00077527822142
prolineProlineME641383145742C00148364232142
spermidineSpermidineME6413911102C00315792258144
valineValineME6414086287C00183313224144
hydroxylamineHydroxylamineME641340787C00192255313146
succinic acidSuccinic acidME6413931110C00042370518147
maleimideMaleimideME64136110935C07272244928154
glutamineGlutamineME6413255961C00064600452156
lysineLysineME6413585962C00047663088156
oxoprolineOxoprolineME6413757405C01879486399156
glutaric acidGlutaric acidME641326743C00489422031158
isoleucineIsoleucineME6413476306C00407358756158
leucineLeucineME6413536106C00123345953158
galactoseGalactoseME6413186036C00124647787160
galacturonic acidGalacturonic acidME64131984740C00333670193160
glucoseGlucoseME6413225793C00031649920160
benzylalcoholBenzyl alcoholME641296244C00556281322165
ureaUreaME6414051176C00086328046171
5-aminovaleric acid5-Aminopentanoic acidME641280138C00431536304174
ethanolamineEthanolamineME641312700C00189345242174
GABAgamma-Aminobutyric acidME641317119C00334488961174
glycineGlycineME641331750C00037368041174
glycyl prolineGly-ProME6413333013625-692401174
putrescinePutrescineME6413841045C00134587728174
pyruvatePyruvic acidME6413851060C00022211146174
tyramineTyramineME6414025610C00483664065174
methionineMethionineME6413636137C00073483425176
3-hydroxypropionic acidHydroxypropionic acidME64127868152C01013269975177
glycolic acidGlycolic acidME641332757C00160227487177
benzoic acidBenzoic acidME641295243C00180338043179
glyceric acidGlyceric acidME641327439194C00258377001189
acetohydroxamic acidAcetohydroxamic acidME6412811990C06808222307190
3-hydroxybutanoic acid3-Hydroxybutyric acidME641277441C05984278929191
trehaloseTrehaloseME6414007427C01083947837191
3-phenyllactic acidPhenyllactic acidME6412793848C05607516416193
alpha ketoglutaric acid2-Oxoglutaric acidME64128551C00026507734198
2-ketoisocaproic acidKetoleucineME64127370C00233310629200
indole-3-acetateIndoleacetic acidME641342802C00954685195202
indole-3-lactateIndolelactic acidME64134392904C02043764543202
tryptophanTryptophanME6414016305C00078779834202
beta-gentiobiosebeta-GentiobioseME641298219994C08240967919204
glycerol-3-galactoside NISTGalactosylglycerolME641329656504C05401803554204
levoglucosanGlucosanME6413552724705-569799204
serineSerineME6413885951C00065394656204
shikimic acidShikimic acidME6413898742C00493610984204
erythritolErythritolME641311222285C00503471274205
glycerolGlycerolME641328753C00116344223205
arabinoseArabinoseME6412877044039C00216546892217
inosineInosineME6413446021C00294897806217
levanbioseLevanbioseME641354439555C01725938676217
lyxitolL-ArabitolME64135994154C00532575571217
palatinosePalatinoseME6413764177368C01742976650217
ribitolRibitolME6413866912C00474572822217
threitolThreitolME641396169019C16884467314217
2-monopalmitinMG 0:0/16:0/0:0ME6412743084463-889972218
2-monostearin NIST-ME641275--948845218
aminomalonateAminomalonic acidME641286100714C00872455886218
cystineCystineME641308595C00491804143218
phenylalaninePhenylalanineME6413816140C00079537760218
tyrosineTyrosineME6414036057C00082671085218
caffeic acidCaffeic acidME6413001549111C01481748306219
cysteineCysteineME641307594C00097501345220
gamma-tocopherolgamma-TocopherolME64132092729C024831026222223
aspartic acidAspartic acidME6412935960C00049480543232
malateMalic acidME641360222656C00149462908233
tocopherolalpha-TocopherolME64139914985C024771067178237
dihydroabietic acidDihydroabietic acidME641309227277-849610239
methanolphosphateMethanolphosphateME64136213130-290941241
fumaric acidFumaric acidME641316444972C00122390708245
glutamic acidGlutamic acidME64132433032C00025529370246
beta-alaninebeta-AlanineME641297239C00099431950248
orotic acidOrotic acidME641374967C00295584723254
citrullineCitrullineME6413049750C00327622791256
uridineUridineME6414076029C00299856953258
sucroseSucroseME6413945988C00089915457271
citric acidCitric acidME641303311C00158617288273
hydroxycarbamate NISTHydroxycarbamic acidME64133916639161-325357278
myristic acidMyristic acidME64136711005C06424634543285
isothreonic acidD-Threonic acidME641349151152C01620489846292
threonic acidThreonic acidME641397151152C01620497167292
glycerol-alpha-phosphatesn-Glycero-3-phosphateME641330754C03189591357299
phosphoric acidPhosphoric acidME6413821004C00009344674299
inositol myo-Myo-inositolME641345892C00137729867305
fructoseFructoseME6413135984C00095638631307
riboseRiboseME6413875779C00121553411307
palmitic acidPalmitic acidME641377985C00249713542313
inositol-4-monophosphateInositol 4-phosphateME6413466349C03546845491318
guanosineGuanosineME6413356802C00387955097324
taurineTaurineME6413951123C00245557250326
octadecanolStearyl alcoholME6413718221D01924755073327
gluconic acidGluconic acidME64132110690C00257693140333
glucuronic acidGlucuronic acidME64132394715C00191666743333
linoleic acidLinoleic acidME6413575280450C01595777102337
elaidic acidElaidic acidME641310965C01712780799339
oleic acidOleic acidME641372445639C01712778858339
monomyristin NISTMG 14:0ME641365--838323343
guanineGuanineME641334764C00242744497352
xanthineXanthineME6414091188C00385702391353
monopalmitin-1-glycerideMG 16:0/0:0/0:0ME64136614900-901207371
1-monostearinMG 18:0/0:0/0:0ME641270107036D01947959625399
uric acidUric acidME6414061175C00366731185441
arachidonic acidArachidonic acidME641290444899C0021983329291
isolinoleic acid NIST-ME6413483931-79462995
uracilUracilME6414041174C0010638590399


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