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.

AuthorMingshu Cao
Date of publicationNone
MaintainerMingshu Cao <mingshu.cao@agresearch.co.nz>
LicenseGPL-2
Version1.20.0

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