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Peak Picking and Annotation of High Resolution Experiments

Bioconductor version: Release (3.19)

An automated pipeline for the detection, integration and reporting of predefined features across a large number of mass spectrometry data files. It enables the real time annotation of multiple compounds in a single file, or the parallel annotation of multiple compounds in multiple files. A graphical user interface as well as command line functions will assist in assessing the quality of annotation and update fitting parameters until a satisfactory result is obtained.

Author: Arnaud Wolfer [aut, cre] , Goncalo Correia [aut] , Jake Pearce [ctb], Caroline Sands [ctb]

Maintainer: Arnaud Wolfer <adwolfer at>

Citation (from within R, enter citation("peakPantheR")):


To install this package, start R (version "4.4") and enter:

if (!require("BiocManager", quietly = TRUE))


For older versions of R, please refer to the appropriate Bioconductor release.


To view documentation for the version of this package installed in your system, start R and enter:

Getting Started with the peakPantheR package HTML R Script
Parallel Annotation HTML R Script
peakPantheR Graphical User Interface HTML R Script
Real Time Annotation HTML R Script
Reference Manual PDF


biocViews MassSpectrometry, Metabolomics, PeakDetection, Software
Version 1.18.0
In Bioconductor since BioC 3.10 (R-3.6) (4.5 years)
License GPL-3
Depends R (>= 4.2)
Imports foreach (>= 1.4.4), doParallel (>= 1.0.11), ggplot2 (>= 3.5.0), gridExtra (>= 2.3), MSnbase(>= 2.4.0), mzR(>= 2.12.0), stringr (>= 1.2.0), methods (>= 3.4.0), XML (>=, minpack.lm (>= 1.2.1), scales (>= 0.5.0), shiny (>= 1.0.5), bslib, shinycssloaders (>= 1.0.0), DT (>= 0.15), pracma (>= 2.2.3), utils, lubridate, svglite (>= 2.1.1)
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Follow Installation instructions to use this package in your R session.

Source Package peakPantheR_1.18.0.tar.gz
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macOS Binary (x86_64) peakPantheR_1.18.0.tgz
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Source Repository (Developer Access) git clone
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