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

[Up] [Top]

Documentation for package ‘nontarget’ version 1.9

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