Getisotopologues {enviGCMS}

Get the selected isotopologues at certain MS data

Description

Get the selected isotopologues at certain MS data

Usage

Getisotopologues(formula = "C12OH6Br4", charge = 1, width = 0.3)

Arguments

formula

the molecular formula. C12OH6Br4 means BDE-47 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.

Examples

# show isotopologues for BDE-47
Getisotopologues(formula = 'C12OH6Br4')