DOI: 10.18129/B9.bioc.CluMSID    

This package is for version 3.12 of Bioconductor; for the stable, up-to-date release version, see CluMSID.

Clustering of MS2 Spectra for Metabolite Identification

Bioconductor version: 3.12

CluMSID is a tool that aids the identification of features in untargeted LC-MS/MS analysis by the use of MS2 spectra similarity and unsupervised statistical methods. It offers functions for a complete and customisable workflow from raw data to visualisations and is interfaceable with the xmcs family of preprocessing packages.

Author: Tobias Depke [aut, cre], Raimo Franke [ctb], Mark Broenstrup [ths]

Maintainer: Tobias Depke <tobias.depke at>

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


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HTML R Script CluMSID DI-MS/MS Tutorial
HTML R Script CluMSID GC-EI-MS Tutorial
HTML R Script CluMSID LowRes Tutorial
HTML R Script CluMSID MTBLS Tutorial
HTML R Script CluMSID Tutorial
PDF   Reference Manual
Text   NEWS


biocViews Clustering, Metabolomics, Preprocessing, Software
Version 1.6.0
In Bioconductor since BioC 3.9 (R-3.6) (2 years)
License MIT + file LICENSE
Depends R (>= 3.6)
Imports mzR, S4Vectors, dbscan, RColorBrewer, ape, network, GGally, ggplot2, plotly, methods, utils, stats, sna, grDevices, graphics, Biobase, gplots, MSnbase
Suggests knitr, rmarkdown, testthat, dplyr, readr, stringr, magrittr, CluMSIDdata, metaMS, metaMSdata, xcms
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