nontarget: Detecting Isotope, Adduct and Homologue Relations in LC-MS 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.

Install the latest version of this package by entering the following in R:
install.packages("nontarget")
AuthorMartin Loos
Date of publication2016-09-27 16:39:53
MaintainerMartin Loos <mloos@looscomputing.ch>
LicenseGPL-3
Version1.9

View on CRAN

Functions

adduct.search Man page
combine Man page
deter.iso Man page
homol.search Man page
make.isos Man page
ms.filter Man page
nontarget Man page
nontarget-package Man page
pattern.search Man page
pattern.search2 Man page
peaklist Man page
plotadduct Man page
plotall Man page
plotcomp Man page
plotdefect Man page
plotdiff Man page
plotgroup Man page
plothomol Man page
plotisotopes Man page
rm.sat Man page

Questions? Problems? Suggestions? or email at ian@mutexlabs.com.

Please suggest features or report bugs with the GitHub issue tracker.

All documentation is copyright its authors; we didn't write any of that.