DOI: 10.18129/B9.bioc.MetCirc    

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

Bioconductor version: Release (3.14)

MetCirc comprises a workflow to interactively explore high-resolution MS/MS metabolomics data. MetCirc uses the Spectrum2 and MSpectra infrastructure defined in the package MSnbase that stores MS/MS spectra. MetCirc offers functionality to calculate similarity between precursors based on the normalised dot product, neutral losses or user-defined functions 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.

Author: Thomas Naake <thomasnaake at>, Johannes Rainer <johannes.rainer at> and Emmanuel Gaquerel <emmanuel.gaquerel at>

Maintainer: Thomas Naake <thomasnaake at>

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biocViews ImmunoOncology, MassSpectrometry, Metabolomics, Software, Visualization
Version 1.24.0
In Bioconductor since BioC 3.4 (R-3.3) (5 years)
License GPL (>= 3)
Depends R (>= 3.5), amap (>= 0.8), circlize (>= 0.3.9), scales (>= 0.3.0), shiny (>= 1.0.0), MSnbase(>= 2.15.3)
Imports ggplot2 (>= 3.2.1), S4Vectors(>= 0.22.0)
Suggests BiocGenerics, graphics (>= 3.5), grDevices (>= 3.5), knitr (>= 1.11), methods (>= 3.5), stats (>= 3.5), testthat (>= 2.2.1)
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