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

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.

Package details

AuthorMingshu Cao
Bioconductor views MassSpectrometry Metabolomics
MaintainerMingshu Cao <>
Package repositoryView on Bioconductor
Installation Install the latest version of this package by entering the following in R:
if (!requireNamespace("BiocManager", quietly = TRUE))


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iontree documentation built on May 2, 2018, 2:55 a.m.