revertAdduct: Break formula apart into adduct and main formula

In MetaDBparse: Annotate Mass over Charge Values with Databases and Formula Prediction

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

revertAdduct("C6H13O6", "[M+H]1+")

MetaDBparse documentation built on May 3, 2021, 5:09 p.m.