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 1.0.1 Index]