enviGCMS (version 0.5.7)

getmass: Get the exact mass of the isotopologues from a chemical formula or reaction's isotope patterns with the highest abundances

Description

Get the exact mass of the isotopologues from a chemical formula or reaction's isotope patterns with the highest abundances

Usage

getmass(data)

Arguments

data

a chemical formula or reaction e.g. 'Cl-H', 'C2H4'

Value

numerical vector

Examples

# NOT RUN {
getmass('CH2')
# }