# Detecting Isotope, Adduct and Homologue Relations in LC-MS Data

## Documentation for package ‘nontarget’ version 1.9

- DESCRIPTION file.
- Package NEWS.

## Help Pages

nontarget-package | Detecting Isotope, Adduct and Homologue Relations in LC-MS Data.
adduct.search | Detecting and grouping adduct m/z relations among peaks in a HRMS dataset
combine | Combining isotope, adduct and homologue series relations in HRMS data sets.
deter.iso | Generating list of type iso from filtered m/z differences.
homol.search | Homologue series extraction from LC-MS data.
make.isos | Deriving list of m/z isotope differences for input into 'pattern.search'.
ms.filter | Flexible interactive filtering of components and/or peaks via polygon selection.
nontarget | Detecting Isotope, Adduct and Homologue Relations in LC-MS Data.
pattern.search | Detecting and grouping isotope m/z relations among peaks in a HRMS dataset
pattern.search2 | Detecting and grouping isotope m/z relations among LC-HRMS centroid peaks, based on quantized reference data
peaklist | HRMS peak list
plotadduct | Plot of frequencies and peak intensities of different adducts
plotall | RT vs. m/z scatterplot marking isotope pattern and adduct group peaks.
plotcomp | Plot and print isotope and adduct relations among peaks of a single component
plotdefect | Mass defect vs. m/z scatterplot of HRMS peaks, with specific m/z isotope differences highlighted.
plotdiff | Filtering important m/z differences among peaks of a HRMS data set.
plotgroup | Barplot of m/z isotope (and optional adduct) relations within an isotope pattern group.
plothomol | Marks homologue series peaks in a scatterplot of retention time (RT) vs. m/z
plotisotopes | Plot of isotope counts over isotope pattern groups or components.
rm.sat | Removal of satellite peaks from FT-MS peak lists