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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AlanineAlanineME5551755950C00041-90.05495
AsparagineAsparagineME555176236C00152-133.06076
AspartateAspartic acidME555177424C16433-134.04478
BetaineBetaineME555178247C00719    -118.08625
CitrulineCitrullineME5551799750D07706-176.10295
GlutamineGlutamineME5551805961C00303-148.06043
HistidineHistidineME5551816274D00032-156.07674
HomoserineHomoserineME555182779C00263-120.06551
IsoleucineIsoleucineME555183791D00065-132.1019
KynurenineKynurenineME555184161166C00328  -209.09206
L-AminoadipateAminoadipic acidME5551856992111C00956-162.07608
LeucineLeucineME5551866106D00030-132.1019
MethionineMethionineME5551876147C00073-150.05832
PhenylalaninePhenylalanineME5551886140D00021  -166.08625
ProlineProlineME555189145742 C00148-116.0706
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME555190439155C00021-385.12884
SarcosineSarcosineME5551911088C00213-90.05495
SerineSerineME5551925951C00065-106.04986
ThreonineThreonineME5551936288D00041 -120.06551
TryptophanTryptophanME5551946305D00020-205.09715
TyrosineTyrosineME5551956057C00082-182.08116
ValineValineME5551966287D00039-118.08625


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-hydroxyglutaric acid2-Hydroxyglutaric acidME55520543C02630-147.0299
Alpha-Ketoglutaric acid2-Oxoglutaric acidME55520651C00026-145.01425
Cis-Aconitic acidcis-Aconitic acidME555207309C00417-173.00916
Citric acidCitric acidME555208311D00037-191.01973
FructoseFructoseME5551975984C02336-179.05611
Fumaric acidFumaric acidME555209444972C00122  -115.00368
Gluconic acidGluconic acidME55521010690C00257-195.05103
GlucoseGlucoseME5551985793C00031-179.05611
Lactic acidLactic acidME555211612C00186-89.02442
Malic acidMalic acidME555212525C00149-133.01425
MannitolMannitolME5551996251D00062-181.07176
Monosaccharide-6-phosphate-ME555200----
Pyruvic acidPyruvic acidME5552131060C00022-87.00877
RiboseRiboseME5552015779C00121-149.04555
Ribose-5-phosphateRibose 5-phosphateME55520277982C00117-229.01188
Sedoheptulose-7-phosphateSedoheptulose 7-phosphateME555203165007C05382-289.03301
Succinic acidSuccinic acidME5552141110C00042-117.01933
SucroseSucroseME5552045988C00089-341.10893


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
4-Hydroxyglucobrassicin4-Hydroxy-3-indolylmethylglucosinolateME555215656561C08422-463.04865
GlucobrassicinGlucobrassicinME5552166602378C05837-447.05374
Gluconapin-ME5552179548620C08415-372.04284
Gluconasturtiin-ME5552189548618C08417-422.05849
Neoglucobrassicin-ME5552195485217C08424-477.0643
SinalbinSinalbinME555220656568C08426-424.03776


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