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

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.

Getting started

Package details

AuthorThomas Naake <>, Johannes Rainer <> and Emmanuel Gaquerel <>
Bioconductor views MassSpectrometry Metabolomics ShinyApps Visualization
MaintainerThomas Naake <>
LicenseGPL (>= 3)
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
tnaake/MetCirc documentation built on April 23, 2023, 8:56 a.m.