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.
|Bioconductor views||MassSpectrometry Metabolomics|
|Maintainer||Mingshu Cao <[email protected]>|
|Package repository||View on Bioconductor|
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