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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
phenylethylaminePhenylethylamineME469917-1001-174
phosphatePhosphoric acidME469916-1004-314
enolpyruvatePhosphoenolpyruvic acidME469985-1005-217
aminomalonateAminomalonic acidME470013-100714-218
phosphoethanolaminePhosphoethanolamineME469915-1015-299
pyrophosphatePyrophosphateME469908-1023-110
indoxyl sulfateIndoxyl sulfateME469952-10258-277
3-(3-hydroxyphenyl)-3-hydroxypropionic acid3-(3-Hydroxyphenyl)-3-hydroxypropanoic acidME470028-102959-267
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME470027-10394-179
heptadecanoic acidMargaric acidME469962-10465-117
arachidic acidArachidic acidME470011-10467-117
cerotinic acidCerotic acidME470000-10469-145
pyruvic acidPyruvic acidME469907-1060-174
riboseRiboseME469904-10975657-217
myristic acidMyristic acidME469930-11005-285
succinic acidSuccinic acidME469899-1110-247
lactuloseLactuloseME469944-11333-204
thymineThymineME469892-1135-255
uracilUracilME469887-1174-241
uric acidUric acidME469885-1175-441
ureaUreaME469886-1176-189
xanthineXanthineME469882-1188-353
piperidone2-PiperidinoneME469913-12665-156
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME470021-127-179
galactonic acidGalactonic acidME469978-128869-292
methanolphosphateMethanolphosphateME469935-13130-241
4-hydroxybenzoate4-Hydroxybenzoic acidME470022-135-223
prolineProlineME469912-145742-142
1-monopalmitinMG 16:0/0:0/0:0ME470039-14900-371
pseudo uridinePseudouridineME469911-15047-217
2-deoxytetronic acid3,4-Dihydroxybutyric acidME470033-150929-189
isothreonic acidD-Threonic acidME469947-151152-292
p-tolyl glucuronideP-Cresol glucuronideME469909-154035-180
naproxenNaproxenME469927-156391-185
methionine sulfoxideMethionine sulfoxideME469933-158980-128
glycerol-3-galactosideGalactosylglycerolME469968-16048618-204
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME470026-16069996-231
isoheptadecanoic acid15-Methylpalmitic acidME469949-164860-117
hydroxycarbamateHydroxycarbamic acidME469958-16639161-278
threitolThreitolME469895-169019-217
UDP-glucuronic acidUDP-glucuronic acidME469888-17473-217
2-deoxyerythritol2-DeoxyerythritolME470034-18302-117
cyanoalanineCyanoalanineME469993-18647689-141
3-deoxytetronic acid2,4-Dihydroxybutanoic acidME470024-192742-117
azelaic acidAzelaic acidME470007-19347555-317
adipic acidAdipic acidME470018-196-111
beta sitosterolSitosterolME470005-222284-129
deoxycholic acidDeoxycholic acidME469988-222528-255
2,5-dihydroxypyrazine2,5-DihydroxypyrazineME470042-23368901-241
beta-alaninebeta-AlanineME470004-239-248
n-acetyl-d-hexosamineN-AcetylhexosamineME469929-24139-319
benzoic acidBenzoic acidME470006-243-179
1-monostearinMG 18:0/0:0/0:0ME470038-24699-203
2,3-dihydroxybutanoic acid2,3-Dihydroxybutanoic acidME470037-250402-292
1-hexadecanolCetyl alcoholME470040-2682-299
levoglucosanGlucosanME469941-2724705-204
p-cresolP-CresolME469920-2879-165
catecholPyrocatecholME470001-289-254
capric acidCapric acidME470002-2969-229
citric acidCitric acidME469997-311-273
glutamic acidGlutamic acidME469973-33032-246
saccharic acidGlucaric acidME469903-33037-333
salicylic acidSalicylic acidME469902-338-267
indole-3-propionic acid3-Indolepropionic acidME469953-3744-202
lauric acidLauric acidME469943-3893-117
2-hydroxyglutaric acid2-Hydroxyglutaric acidME470031-43-247
maltoseMaltoseME469937-439186-204
xyluloseXyluloseME469879-439205-173
N-acetylmannosamineN-Acetyl-mannosamineME469928-439281-319
tagatoseD-TagatoseME469897-439312-307
cysteine-glycineCys-GlyME469991-439498-220
erythroseErythroseME469983-439574-205
fucoseFucoseME469980-439650-160
fructoseFructoseME469981-439709-307
guanidinosuccinateGuanidinosuccinic acidME469964-439918-328
inositol-4-monophosphateInositol 4-phosphateME469950-440043-315
2-hydroxybutanoic acid2-Hydroxybutyric acidME470032-440864-131
tartaric acidTartaric acidME469896-444305-292
arachidonic acidArachidonic acidME470010-444899-91
fumaric acidFumaric acidME469979-444972-245
docosahexaenoic acidDocosahexaenoic acidME469986-445580-91
palmitoleic acidPalmitoleic acidME469922-445638-311
hippuric acidHippuric acidME469961-464-206
alpha-ketoglutarate2-Oxoglutaric acidME470015-51-198
serotoninSerotoninME469900-5202-174
malic acidMalic acidME469938-525-233
linoleic acidLinoleic acidME469940-5280450-150
cis-gondoic acidcis-Gondoic acidME469998-5282768-367
erythronic acid lactoneErythrono-1,4-lactoneME469984-5325915-247
threonic acidThreonic acidME469894-5460407-292
ribonic acidRibonic acidME469905-5460677-292
2-ketobutyric acid3-Methyl pyruvic acidME470030-58-89
trans-4-hydroxyprolinetrans-4-HydroxyprolineME469891-5810-140
creatineCreatineME469994-586-115
cysteineCysteineME469992-5862-220
cystineCystineME469990-595-218
alanineAlanineME470017-5950-116
serineSerineME469901-5951-218
aspartic acidAspartic acidME470008-5960-232
glutamineGlutamineME469972-5961-156
lysineLysineME469939-5962-174
sucroseSucroseME469898-5988-271
cholesterolCholesterolME469999-5997-129
inosineInosineME469951-6021-230
uridineUridineME469884-6029-224
tyrosineTyrosineME469889-6057-218
leucineLeucineME469942-6106-158
hydroxyproline dipeptide-ME469956-61159526-156
lactic acidLactic acidME469945-612-191
methionineMethionineME469934-6137-176
phenylalaninePhenylalanineME469918-6140-218
mannitolMannitolME469936-6251-319
ornithineOrnithineME469925-6262-142
asparagineAsparagineME470009-6267-188
histidineHistidineME469960-6274-154
valineValineME469883-6287-144
threonineThreonineME469893-6288-218
tryptophanTryptophanME469890-6305-202
isoleucineIsoleucineME469948-6306-158
alpha-tocopherolalpha-TocopherolME470014-638015-237
aconitic acidcis-Aconitic acidME470019-643757-229
glucoseGlucoseME469976-64689-319
3-aminoisobutyric acid3-Aminoisobutanoic acidME470025-64956-248
1,5-anhydroglucitol1,5-AnhydrosorbitolME470041-64960-217
quinic acidQuinic acidME469906-6508-345
glucose-1-phosphateGlucose 1-phosphateME469975-65533-217
2-aminobutyric acid2-Aminobutyric acidME470035-6657-130
parabanic acidParabanic acidME469921-67126-100
guanosineGuanosineME469963-6802-324
xylitolXylitolME469881-6912-217
pipecolinic acidPipecolic acidME469914-6931662-156
2-ketoisocaproic acidKetoleucineME470029-70-89
ethanolamineEthanolamineME469982-700-174
oxoprolineOxoprolineME469924-7405-156
glutaric acidGlutaric acidME469971-743-261
glycineGlycineME469966-750-102
glycerolGlycerolME469969-753-205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME469967-754-357
glycolic acidGlycolic acidME469965-757-177
hydroquinoneHydroquinoneME469959-785-239
hydroxylamineHydroxylamineME469957-787-146
hypoxanthineHypoxanthineME469955-790-265
indole-3-acetateIndoleacetic acidME469954-802-202
octadecanolStearyl alcoholME469926-8221-327
beta-tocopherolbeta-tocopherolME470003-8989-223
dihydro-3-coumaric acid3-(3-Hydroxyphenyl)propanoic acidME469987-91-192
delta-tocopheroldelta-TocopherolME469989-92094-208
3-hydroxybutyric acid3-Hydroxybutyric acidME470023-92135-191
gamma-tocopherolgamma-TocopherolME469977-92729-223
6-deoxyglucoseQuinovoseME470020-93579-117
arabitolArabitolME470012-94154-103
glucuronic acidGlucuronic acidME469974-94715-333
2,8-dihydroxyquinolineQuinoline-2,8-diolME470036-97250-290
citrullineCitrullineME469996-9750-157
palmitic acidPalmitic acidME469923-985-313
phenolPhenolME469919-996-151
conduritol-beta-expoxideConduritol epoxideME469995-9989541-318
allantoic acidAllantoic acidME470016---259
glyceric acidGlyceric acidME469970---189
kynurenineKynurenineME469946---218
methyltetrahydrophenanthrenone-ME469932---197
myo-inositolMyo-inositolME469931---305
psicosePsicoseME469910---307
xyloseXyloseME469880---307


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