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. 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.

Package details

AuthorThomas Naake <>, Johannes Rainer <> and Emmanuel Gaquerel <>
Bioconductor views ImmunoOncology MassSpectrometry Metabolomics Visualization
MaintainerThomas Naake <>
LicenseGPL (>= 3)
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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MetCirc documentation built on Nov. 8, 2020, 8:26 p.m.