enviGCMS (version 0.8.0)

Getisotopologues: Get the selected isotopologues at certain MS data

Description

Get the selected isotopologues at certain MS data

Usage

Getisotopologues(formula = "C6H11O6", charge = 1, width = 0.3)

Arguments

formula

the molecular formula.

charge

the charge of that molecular. 1 in EI mode as default

width

the width of the peak width on mass spectrum. 0.3 as default for low resolution mass spectrum.

Examples

if (FALSE) {
# show isotopologues
Getisotopologues(formula = 'C6H11O6', charge = 1, width = 0.3)
}