nontarget: Detecting, combining and filtering isotope, adduct and homologue series relations in high-resolution mass spectrometry (HRMS) data

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.

Version: 1.3
Depends: enviPat (≥ 1.7), nontargetData (≥ 1.1), mgcv (≥ 1.7-22)
Published: 2014-07-23
Author: Martin Loos
Maintainer: Martin Loos <Martin.Loos at>
License: GPL-2
NeedsCompilation: yes
Materials: NEWS
CRAN checks: nontarget results


Reference manual: nontarget.pdf
Package source: nontarget_1.3.tar.gz
Windows binaries: r-devel:, r-release:, r-oldrel:
OS X Snow Leopard binaries: r-release: nontarget_1.3.tgz, r-oldrel: nontarget_1.3.tgz
OS X Mavericks binaries: r-release: nontarget_1.3.tgz
Old sources: nontarget archive