blosloos/nontarget: Detecting Isotope, Adduct and Homologue Relations in LC-MS Data
Version 2.0

Screening a HRMS data set for peaks related by (1) isotope patterns, (2) different adducts of the same molecule and/or (3) homologue series. The resulting isotopic pattern and adduct groups can then be combined to so-called components, with homologue series information attached. Also allows plotting and filtering HRMS data for mass defects, frequent m/z distances and components vs. non-components.

Getting started

Package details

AuthorMartin Loos
MaintainerMartin Loos <[email protected]>
LicenseGPL-3
Version2.0
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
install.packages("devtools")
library(devtools)
install_github("blosloos/nontarget")
blosloos/nontarget documentation built on Nov. 8, 2017, 6:42 a.m.