calcAccurateMass: Calculate a molecular formula accurate mass

View source: R/calc.R

calcAccurateMassR Documentation

Calculate a molecular formula accurate mass

Description

Calculate the accurate mass of a specified molecular formula.

Usage

calcAccurateMass(MF, charge = 0, element_table = elements())

Arguments

MF

the molecular formula for which to calculate the accurate mass

charge

the total charge of the specified molecular formula

element_table

elemental mass information. Defaults to elements().

Examples

calcAccurateMass('C4H5O5',charge = 0)

jasenfinch/mzAnnotation documentation built on Feb. 25, 2023, 1:27 a.m.