calcAdductFormula: This function generates the formula of a pseudomolecular ion...

Description Usage Arguments Value Examples

Description

This function generates the formula of a pseudomolecular ion from a chemical formula and the type of adduct selected.

Usage

1
calcAdductFormula(chemFormula, adduct)

Arguments

chemFormula

Single string with chemical formula

adduct

Adduct shorthand notation according to <code>masstrixR</code> notation.

Value

Returns a string with the ion formula

Examples

1
ionFormula <- calcAdductFormula("C6H12O6", "[M+H]+")

michaelwitting/masstrixR documentation built on Aug. 18, 2019, 1:33 a.m.