getisotopologues: Get the selected isotopologues at certain MS data

In enviGCMS: GC/LC-MS Data Analysis for Environmental Science

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, cutoff = 0.05)

Arguments

formula	the molecular formula. 'C6H11O6' as default
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.
cutoff	numeric, minimum relative abundance (fraction of base peak) to consider, default 0.05 (5%).

Examples

## Not run: 
# show isotopologues
getisotopologues(formula = 'C6H11O6', charge = 1, width = 0.3)

## End(Not run)

enviGCMS documentation built on Oct. 10, 2026, 5:06 p.m.