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This is the development version of MetCirc; for the stable release version, see MetCirc.

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

Bioconductor version: Development (3.20)

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))

# The following initializes usage of Bioc devel


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 1.35.0
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_1.35.0.tar.gz
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