mzs_to_mass: convert charged m/z to neutral mass

In shutinet/metabSeek: Search in several databases metabolites masses or spectras

Description

convert charged m/z to neutral mass with a list of predefined adducts reject those with a mass under or equal to 0

Usage

mzs_to_mass(mzs, adducts)

Arguments

mzs	vector of floats, represent m/z
adducts	vector of strings, represent name of the adduct

Value

matrix with columns

1. adduct

2. ion_mz

3. mass

Examples

## Not run: mzs_to_mass(443.1247895, c("M+H", "M+2H"))

shutinet/metabSeek documentation built on Sept. 5, 2020, 12:57 a.m.