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

Description Usage Arguments Author(s) See Also Examples

View source: R/Utils_adduct_calc.R

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

1
create_ion_formula(chem_formula, adduct)

Arguments

adduct

adduct definition, e.g. [M+H]+

exact_mass

neutral exact mass

Author(s)

Michael Witting, michael.witting@helmholtz-muenchen.de

See Also

calc_adduct_mass

calc_neutral_mass

Examples

1
2
library(lipidomicsUtils)
create_ion_formula("C6H12O6", "[M+H]+")

michaelwitting/lipidomicsUtils documentation built on Nov. 10, 2019, 1:17 a.m.