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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Isopropylmalic acid2-Isopropylmalic acidME53504877-1578.2275
3-indoleacetonitrile3-IndoleacetonitrileME535062351795-1875.1228
AgmatineAgmatineME535052199-1743.7174
AlanineAlanineME5350535950-1079.5116
alpha-Tocopherolalpha-TocopherolME53505414985-3159502
Aminoadipic acidAminoadipic acidME535050469-1719.2260
ArabinoseArabinoseME53505666308-1666.5307
ArabitolArabitolME53505794154-1719307
ArbutinArbutinME535058440936-2585.4254
ArginineArginineME5350596322---
AsparagineAsparagineME5350606267---
Aspartic acidAspartic acidME5350615960-1515.6232
caffeic acidCaffeic acidME5350651549111-2134.6396
CampesterolCampesterolME535066173183-3306.3343
CholesterolCholesterolME5350675997-3210.1329
Citramalic acidCitramalic acidME535068441696-1470.9247
CitrateCitric acidME535069311-1819.8273
CysteineCysteineME5350705862-1556.7220
DigalactosylglycerolGalactosylglycerolME53507246905263-3113204
D-Malic acidD-Malic acidME53510792824-1476.6233
D-Myo-Inositol-1-Phosphate-ME5351145288642-2427.7299
ErythritolErythritolME535073222285-1491.8217
Erythronic acidErythronic acidME5350742781043-1530.7292
EthanolamineEthanolamineME535075700-1031.8102
FructoseFructoseME5350775984-1870.2307
Fumaric acidFumaric acidME535078444972-1352143
GalactinolGalactinolME53508011727586-2779.3433
Galactonic acidGalactonic acidME535081128869-1993.3292
GalactoseGalactoseME5350826036-1881.3160
GalactosylglycerolGalactosylglycerolME535083656504-2321204
gamma-Aminobutyric acidgamma-Aminobutyric acidME535079119---
gamma-Tocopherolgamma-TocopherolME53508492729-3005.8223
Gluconic acidGluconic acidME53508510690-1999.5333
GlucopyranoseGlucoseME5350875793-1889.3204
Glucopyranose(-H2O)GlucoseME535086--1772.4217
GlucosanGlucosanME5350552724705-1707.8204
GlucoseGlucoseME5350895793-1886.6160
Glucose-6-PhosphateGlucose 6-phosphateME5350885958-2315.5299
Glucuronic acidGlucuronic acidME53509094715-1929.6333
Glutamic acidGlutamic acidME53509133032-1524.7246
GlutamineGlutamineME535092----
Glyceric acidGlyceric acidME535093439194-1337.5292
GlycerolGlycerolME535095753-1265.7205
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME535064439964-2189.3357
GlycineGlycineME535096750---
HistidineHistidineME5350976274-1872.8182
HomoserineHomoserineME53509812647-1451.4218
IsoleucineIsoleucineME5351016306-1300.3158
KaempferolKaempferolME5351025280863-3073.6559
L-Dehydroascorbic acidDehydroascorbic acidME535071440667---
LeucineLeucineME5351036106-1278.9158
Lignoceric acidLignoceric acidME53514311197-2833.2145
LysineLysineME5351055962-1713.3156
Maleic acidMaleic acidME535108444266-1309.4245
MaltoseMaltoseME535110439186-2744.4160
MannoseMannoseME53511118950-1875160
MethionineMethionineME5351126137-1515.7176
MG 16:0MG 16:0ME53511314900-2593.3371
Myo-InositolMyo-inositolME535115892-2093.9318
Nicotinic acidNicotinic acidME535116938-1299.8180
O-Acetyl-serineO-AcetylserineME53511799478-1399.1174
Octadecatrienoic acidOctadecatrienoic acidME5351045280934-2214.4335
Oleic acidOleic acidME535118445639-2213.9339
Oxoglutaric acid2-Oxoglutaric acidME53504951-1564.7198
Palmitelaidic acidPalmitelaidic acidME5351195282745-2021311
Palmitoleic acidPalmitoleic acidME535120445638-2031.5311
Pentonic acid-ME535106--1759.1292
PhenylalaninePhenylalanineME5351216140-1551.2120
Phosphoric acidPhosphoric acidME5351221004-1265.9299
PhytolPhytolME5351235280435-2169.8143
Porphyrin-ringPorphyrin-ringME5351245481287-1339.3285
ProlineProlineME535125145742-1175.8172
PutrescinePutrescineME5351261045-1511174
Pyruvic acidPyruvic acidME5351271060-1055.1174
RaffinoseRaffinoseME535128439242-3356.6217
RhamnoseRhamnoseME53512925310-1723.4160
Ribonic acidRibonic acidME5351305460677-1759.4333
RiboseRiboseME5351325779-1679.1307
Ribose-5-PhosphateRibose 5-phosphateME53513177982-2094.4299
Ribulose-5-PhosphateRibulose 5-phosphateME535133439184-2099357
Salicylic acidSalicylic acidME535134338-1502.6267
Scyllo-inositolMyo-inositolME535100892-2029318
Sedoheptulose-7-PhosphateSedoheptulose 7-phosphateME535135165007-2563.2387
SerineSerineME5351365951-1262.2218
Shikimic acidShikimic acidME5351378742-1810.3372
Sinapic acidSinapic acidME535138637775-2242.8368
SinigrinSinigrinME5351396911854-2315361
SitosterolSitosterolME535063222284-3344.6396
sn-Glycero-3-phosphatesn-Glycero-3-phosphateME535094439162-1765299
sn-Glycero-3-phosphoinositolsn-Glycero-3-phosphoinositolME53509945480545-2791.5299
Succinic acidSuccinic acidME5351401110-1311247
SucroseSucroseME5351415988-2641.2451
Sulfite-ME5351421099-1277211
Threonic acidThreonic acidME5351445460407-1556.8292
ThreonineThreonineME5351456288-1293.5218
trans-Aconitic acidtrans-Aconitic acidME535051444212-1743.5375
trans-Ferulic acidtrans-Ferulic acidME535076445858-2091.9338
TrehaloseTrehaloseME5351467427-2748.2191
TryptophanTryptophanME5351476305---
TyramineTyramineME5351485610-1909.5174
TyrosineTyrosineME5351496057-1884.1179
U1377.7/306-ME535150--1377.7306
U1559.4/217-ME535151--1559.4217
U1660.1/257-ME535152--1660.1257
U1687.9/307-ME535153--1687.9307
U1823.2/292-ME535154--1823.2292
U1874.5/275-ME535155--1874.5275
U1904.4/273-ME535156--1904.4273
U1939.1/210-ME535157--1939.1210
U1983.0/217-ME535158--1983217
U2053.6/321-ME535159--2053.6321
U2087.6/321-ME535160--2087.6321
U2110.8/319-ME535161--2110.8319
U2134.7/319-ME535162--2134.7319
U2141.2/249-ME535163--2141.3249
U2142.9/204-ME535164--2142.9204
U2148.2/319-ME535165--2148.2319
U2159.5/249-ME535166--2159.5249
U2171.7/249-ME535167--2171.7249
U2206.2/299-ME535168--2206.2299
U2226.9/335(linolenate)-ME535169--2226.9335
U2230.8/335(linolenate)-ME535170--2230.8335
U2271.6/249-ME535171--2271.6249
U2390.0/204-ME535172--2390204
U2501.4/321-ME535173--2501.4321
U2552.9/204-ME535174--2552.9204
U2670.9/284-ME535175--2670.9284
U2750/494-ME535109--2750.7494
U2779.9/361-ME535176--2779.9361
U2968.1/435-ME535177--1968.1435
U3122.4/202(I3M)-ME535178--3122.4202
UGlucosinolatebreakdown140-1-ME535179--1622.5140
UGlucosinolatebreakdown140-5-ME535180--2027.6140
ValineValineME5351816287-1215.7144
XyloseXyloseME535182135191-1648307
XyluloseXyluloseME5351835289590-1680.9263


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