getmass {enviGCMS}R Documentation

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

getmass('CH2')

[Package enviGCMS version 0.6.6 Index]