MetCirc: Navigating mass spectral similarity in high-resolution MS/MS metabolomics data

MetCirc comprises a workflow to interactively explore high-resolution MS/MS metabolomics data: create an MSP object, a format for MS/MS library data, bin m/z values of precursors, calculate similarity between precursors based on the normalised dot product and visualise similarities in a circular layout. Within the interactive framework the user can annotate MS/MS features based on their similarity to (known) related MS/MS features.

Package details

AuthorThomas Naake <[email protected]> and Emmanuel Gaquerel <[email protected]>
Bioconductor views ImmunoOncology MassSpectrometry Metabolomics Visualization
MaintainerThomas Naake <[email protected]>
Package repositoryView on Bioconductor
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MetCirc documentation built on May 6, 2019, 2:26 a.m.