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

LC/MS and GC/MS Data Analysis

Bioconductor version: Development (3.3)

Framework for processing and visualization of chromatographically separated and single-spectra mass spectral data. Imports from AIA/ANDI NetCDF, mzXML, mzData and mzML files. Preprocesses data for high-throughput, untargeted analyte profiling.

Author: Colin A. Smith <csmith at>, Ralf Tautenhahn <rtautenh at>, Steffen Neumann <sneumann at>, Paul Benton <hpbenton at>, Christopher Conley <cjconley at>, Johannes Rainer <Johannes.Rainer at>

Maintainer: Steffen Neumann <sneumann at>

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


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PDF Grouping FTICR-MS data with xcms
PDF Installation Instructions for xcms
PDF LC/MS Preprocessing and Analysis with xcms
PDF Processing Tandem-MS and MS$^n$ data with xcms
PDF   Reference Manual
Text   NEWS


biocViews MassSpectrometry, Metabolomics, Software
Version 1.47.0
In Bioconductor since BioC 1.6 (R-2.1) or earlier (> 10.5 years)
License GPL (>= 2) + file LICENSE
Depends R (>= 2.14.0), methods, mzR(>= 1.1.6), BiocGenerics, ProtGenerics, Biobase
Imports lattice, RColorBrewer
Suggests faahKO, msdata, ncdf, multtest, rgl, MassSpecWavelet(>= 1.5.2), RANN, RUnit, parallel
Enhances Rgraphviz, Rmpi, XML
URL and
Depends On Me CAMERA, faahKO, flagme, Metab, metaMS
Imports Me CAMERA, cosmiq, MAIT, metaX, Risa
Suggests Me MassSpecWavelet, msdata, mtbls2, RforProteomics, RMassBank
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