calculate_mass_of_m: Calculate mass of M

In taxonomicallyinformedannotation/tima-r: Taxonomically Informed Metabolite Annotation

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

calculate_mass_of_m(mz = 123.4567, adduct_string = "[M+H]+")
calculate_mass_of_m(mz = 123.4567, adduct_string = "[M+Na]+")
calculate_mass_of_m(mz = 123.456, adduct_string = "[2M1-C6H12O6 (hexose)+NaCl+H]2+")

taxonomicallyinformedannotation/tima-r documentation built on Dec. 20, 2024, 9:32 a.m.