mz_iso_list: Generate a matrix of stable isotopes

Description Usage Arguments Value Examples

View source: R/mz_iso_list.R

Description

mz_iso_list generates a matrix enumerating all possible stable isotopes of a molecule.

Usage

1
mz_iso_list(molecule)

Arguments

molecule

A string containing a molecular formula (e.g., "C2H7NO3S"). Structural formulas containing parentheses are not acceptable. Charges may be included, but the charge count should follow the sign (e.g., "C10H16N5O13P3-3").

Value

A matrix of isotope combinations

Examples

1
mz_iso_list("C5H8O5")

wmoldham/mzrtools documentation built on Oct. 26, 2020, 2:40 p.m.