isobar: This function takes in an m/z value and will return all...

Description Usage Arguments Value Author(s)

View source: R/utils.R

Description

This function takes in an m/z value and will return all possible isobaric compounds based on the supplied compound data frame supplied in this package.

Usage

1
isobar(MZ = 18.0106, ppm = 5, pol = "positive")

Arguments

MZ

The m/z value to be searched

ppm

The m/z deviation allowed to search the compound library

pol

The polarity of the ion to be searched

Value

a data frame of all potential isomers of that particular chemical formula

Author(s)

Daniel Braas


danielbraas/MetabFUN documentation built on Oct. 9, 2020, 9:49 a.m.