MetaDBparse (version 2.0.0)

revertAdduct: Break formula apart into adduct and main formula

Description

Used to use the formula creation function and consider adducts at the same time.

Usage

revertAdduct(formula, add_name, adduct_table = adducts)

Arguments

formula

Formula of interest

add_name

Adduct names to consider ('Name' column of adduct table)

adduct_table

Full adduct table, Default: adducts

Value

Table with formula, adduct, isotope

See Also

check_ded,subform,mergeform,multiform

Examples

# NOT RUN {
revertAdduct("C6H13O6", "[M+H]1+")
# }