sum_formula: sum_formula

Description Usage Arguments Author(s) Examples

View source: R/adduct_formula.R

Description

Get the total formula after add adduct.

Usage

1
sum_formula(formula = "C9H11NO2", adduct = "M-H2O+H")

Arguments

formula

Chemical formula.

adduct

Adduct.

Author(s)

Xiaotao Shen shenxt@stanford.edu

Examples

1
2
3
4
sum_formula(formula = "C9H11NO2", adduct = 'M+H')
sum_formula(formula = "C9H11NO2", adduct = 'M+')
sum_formula(formula = "C9H11NO2", adduct = 'M+CH3COOH')
sum_formula(formula = "C9H11", adduct = 'M-H20')

jaspershen/tinyTools documentation built on Nov. 10, 2021, 12:40 a.m.