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

Bioconductor version: Release (3.19)

MetCirc comprises a workflow to interactively explore high-resolution MS/MS metabolomics data. MetCirc uses the Spectra object infrastructure defined in the package Spectra 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>

Citation (from within R, enter citation("MetCirc")):


To install this package, start R (version "4.4") and enter:

if (!require("BiocManager", quietly = TRUE))


For older versions of R, please refer to the appropriate Bioconductor release.


To view documentation for the version of this package installed in your system, start R and enter:

Workflow for Metabolomics HTML R Script
Reference Manual PDF


biocViews MassSpectrometry, Metabolomics, ShinyApps, Software, Visualization
Version 1.34.0
In Bioconductor since BioC 3.4 (R-3.3) (7.5 years)
License GPL (>= 3)
Depends R (>= 3.5), amap (>= 0.8), circlize (>= 0.3.9), scales (>= 0.3.0), shiny (>= 1.0.0), Spectra(>= 1.4.3)
Imports ggplot2 (>= 3.2.1), MsCoreUtils(>= 1.9.2), S4Vectors(>= 0.22.0)
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Suggests BiocGenerics, graphics (>= 3.5), grDevices (>= 3.5), knitr (>= 1.11), testthat (>= 2.2.1)
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Source Package MetCirc_1.34.0.tar.gz
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macOS Binary (arm64) MetCirc_1.34.0.tgz
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