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Analysis: Normal phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AlanineAlanineME5695445950C00041-90.05495
Glutamic acidGlutamic acidME56954633032C00025-148.06043
GlutamineGlutamineME5695455961C00303-147.07641
Indole-3-acetonitrile-ME569551351795C02938-157.07602
IsoleucineIsoleucineME569547791D00065-132.1019
MethionineMethionineME5695486147C00073-150.05832
ProlineProlineME569549145742C00148-116.0706
TryptophanTryptophanME5695506305D00020-205.09715


Analysis: Normal phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AsparagineAsparagineME569552236C00152-133.06076
AspartateAspartic acidME569553424C16433-134.04478
ConiferinConiferinME569560-C00761 -341.12419
LeucineLeucineME5695546106D00030-130.08735
PhenylalaninePhenylalanineME5695556140D00021  -166.08625
Roseoside-ME5695619930064--385.18679
SerineSerineME5695565951C00065-106.04986
Sinalbin B-ME569562656568C08426-424.03776
ThreonineThreonineME5695576288D00041 -120.06551
TyrosineTyrosineME5695586057C00082-182.08116
ValineValineME5695596287D00039-118.08625


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
4-methoxyindole-3-carboxaldehyde-ME569563146229--176.07060
Arvelexin-ME569564119406--187.08658
Ascorbigen-ME5695653081416--306.09721
Brassinin-ME5695663035211--237.05146
Caulilexin C-ME56956711954881--187.08658
Dihydroascorbigen-ME56956825148447--308.11286
Dihydroneoascorbigen-ME569569---338.12342
Neoascorbigen-ME569570100976118--336.10777


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
1,1'-diindolylmethane-ME569571---245.10841
4-methoxyglucobrassicin4-MethoxyglucobrassicinME569572656563C08423-477.06430
Brassicanal ABrassicanal AME569573-C11048  -190.03320
Brassicanate A-ME56957411481434--220.04377
GlucobrassicinGlucobrassicinME5695756602378C05837-447.05374
Gluconasturtiin-ME5695769548618C08417-422.05849
Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME56957710256C08493 -144.04548
Neoglucobrassicin-ME5695785485217C08424-477.06430
Rutalexin-ME56957911195626--231.02336
SyringinSyringinME5695805316860C01533  -371.13476


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