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)

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

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

## End(Not run)

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