Analysis Metabolite Name Measured Value Units Condition KD#1 KD#2
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-1867Peak area normalizedyes no no
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-2248Peak area normalizedyes no no
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-2821Peak area normalizedyes no no
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-2933Peak area normalizedno no yes
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-3219Peak area normalizedno no yes
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-3354Peak area normalizedno yes no
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-3956Peak area normalizedno yes no
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-4133Peak area normalizedno yes no
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-4248Peak area normalizedno no yes
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-4311Peak area normalizedno yes no
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-5923Peak area normalizedno no yes
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-6633Peak area normalizedyes no no
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-6845Peak area normalizedyes no no
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-7340Peak area normalizedno no yes
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-7508Peak area normalizedno no yes
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-7864Peak area normalizedno yes no
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-Peak area normalizedno no yes
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-Peak area normalizedno yes no
Reversed phase NEGATIVE ION MODEVALINE (CAS# 72-18-4); (M-H)-Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+1779308Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+1819114Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+1871719Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+1905261Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+1932089Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+1965665Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2066971Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2239898Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2303819Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2343790Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2492787Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2504827Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2513205Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2637974Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2663659Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2794037Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2800513Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2854919Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2912384Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+2983648Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+3083096Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+3085864Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+3301001Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+4337119Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+4381264Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+4689733Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+5247168Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+5688486Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+5765979Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+H)+5944965Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+1969Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+2140Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+2900Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+3941Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+4499Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+5329Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+5330Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+5457Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+6296Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+6659Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+7587Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+8239Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+8577Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+8855Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+9393Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+10855Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+10889Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+12075Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+12127Peak area normalizedno no yes
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+12613Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+12917Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+13316Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+16421Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+18086Peak area normalizedyes no no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+18757Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+19733Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+Peak area normalizedno yes no
Reversed phase POSITIVE ION MODEVALINE (CAS# 72-18-4); (M+NA)+Peak area normalizedyes no no

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