formula2mass: Compute exact mass.

View source: R/annotation.R

formula2massR 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")

camilleroquencourt/ptairMS documentation built on June 9, 2024, 10:35 a.m.