Calculate mass of M

Description

This function calculates the mass of M

Usage

calculate_mass_of_m(adduct_string, mz, electron_mass = 0.0005485799)

Arguments

adduct_string	Adduct to be parsed
mz	mz
electron_mass	Electron mass

Value

A mass

Examples

library("tima")

calculate_mass_of_m(mz = 123.4567, adduct_string = "[M+H]+")

   n_iso 
122.4483 

calculate_mass_of_m(mz = 123.4567, adduct_string = "[M+Na]+")

   n_iso 
100.4664 

calculate_mass_of_m(mz = 123.4567, adduct_string = "[2M1-C6H12O6 (hexose)+NaCl+H]2+")

   n_iso 
185.0046