getmass: Get the exact mass of the isotopologues from a chemical...

View source: R/mda.R

getmassR 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


enviGCMS documentation built on April 3, 2025, 11:07 p.m.