sum_formula

Source: R/adduct_formula.R

Get the total formula after add adduct.

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

Arguments

formula

Chemical formula.

adduct

Adduct.

Value

formula

Author

Xiaotao Shen shenxt1990@outlook.com

Examples

sum_formula(formula = "C9H11NO2", adduct = "M+H")
#> [1] "C9H12NO2"
sum_formula(formula = "C9H11NO2", adduct = "M+")
#> [1] "C9H11NO2"
sum_formula(formula = "C9H11NO2", adduct = "M+CH3COOH")
#> [1] "C11H15NO4"
sum_formula(formula = "C9H11", adduct = "M-H20")
#> [1] NA