formula2mass {ptairMS}R Documentation

Compute exact mass.

Description

Compute exact mass from an elemental formula

Usage

formula2mass(formula.vc, protonate.l = TRUE)

Arguments

formula.vc

Vector of molecular formulas.

protonate.l

Should a proton be added to the formula?

Value

Vector of the corresponding (protonated) masses.

Examples

formula2mass("CO2")

[Package ptairMS version 1.1.5 Index]