doIsotopes: Generate isotopes for given formula

Description Usage Arguments Value See Also Examples

View source: R/oxy-db_extended.R

Description

Takes in formula and returns isotope pattern m/z values.

Usage

1
doIsotopes(formula, charge, count.isos = F)

Arguments

formula

Molecular formula

charge

Final charge

count.isos

Add columns for amounts of 2H, 13C, 15N atoms? Useful for heavy isotope experiments.

Value

Table with isotopes of this molecular formula

See Also

isopattern

Examples

1
 doIsotopes(formula="C6H12O6", charge=0)

MetaDBparse documentation built on May 3, 2021, 5:09 p.m.