create_ion_formula: Create ion formula from neutral formula and adduct This...

In michaelwitting/metabolomicsUtils: Collection of utility functions for metabolomics

Description

Create ion formula from neutral formula and adduct

This function creates an ion formula from a neutral chemical formula and a valid adduct defintion, e.g. [M+H]+

Usage

create_ion_formula(chem_formula, adduct)

Arguments

adduct	adduct definition, e.g. [M+H]+
exact_mass	neutral exact mass

Author(s)

Michael Witting, [e-mail]

See Also

calc_adduct_mass

calc_neutral_mass

Examples

library(metabolomicsUtils)
create_ion_formula("C6H12O6", "[M+H]+")

michaelwitting/metabolomicsUtils documentation built on Nov. 9, 2019, 10:44 a.m.