iontree

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

Bioconductor version: 2.9

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 agresearch.co.nz>

To install this package, start R and enter:

    source("http://bioconductor.org/biocLite.R")
    biocLite("iontree")

To cite this package in a publication, start R and enter:

    citation("iontree")

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