Data management and analysis of ion trees from ion-trap mass spectrometry

Bioconductor version: Development (3.0)

Ion fragmentation provides structural information for metabolite identification. This package provides utility functions to manage and analyse MS2/MS3 fragmentation data from ion trap mass spectrometry. It was designed for high throughput metabolomics data with many biological samples and a large numer of ion trees collected. Tests have been done with data from low-resolution mass spectrometry but could be readily extended to precursor ion based fragmentation data from high resoultion mass spectrometry.

Author: Mingshu Cao

Maintainer: Mingshu Cao <mingshu.cao at>

To install this package, start R and enter:


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


PDF R Script MSn
PDF   Reference Manual


biocViews MassSpectrometry, Metabolomics, Software
Version 1.11.0
In Bioconductor since BioC 2.9 (R-2.14)
License GPL-2
Depends methods, rJava, RSQLite, XML
Suggests iontreeData
System Requirements
Depends On Me
Imports Me
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Package Source iontree_1.11.0.tar.gz
Windows Binary (32- & 64-bit)
Mac OS X 10.6 (Snow Leopard) iontree_1.11.0.tgz
Mac OS X 10.9 (Mavericks) iontree_1.11.0.tgz
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