DOI: 10.18129/B9.bioc.RMassBank  

This package is for version 3.17 of Bioconductor; for the stable, up-to-date release version, see RMassBank.

Workflow to process tandem MS files and build MassBank records

Bioconductor version: 3.17

Workflow to process tandem MS files and build MassBank records. Functions include automated extraction of tandem MS spectra, formula assignment to tandem MS fragments, recalibration of tandem MS spectra with assigned fragments, spectrum cleanup, automated retrieval of compound information from Internet databases, and export to MassBank records.

Author: Michael Stravs, Emma Schymanski, Steffen Neumann, Erik Mueller, with contributions from Tobias Schulze

Maintainer: RMassBank at Eawag <massbank at eawag.ch>

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


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HTML R Script RMassBank for XCMS
HTML R Script RMassBank: Non-standard usage
HTML R Script RMassBank: The workflow by example
PDF   Reference Manual
Text   NEWS


biocViews Bioinformatics, ImmunoOncology, MassSpectrometry, Metabolomics, Software
Version 3.10.0
In Bioconductor since BioC 2.11 (R-2.15) (11 years)
License Artistic-2.0
Depends Rcpp
Imports XML, rjson, S4Vectors, digest, rcdk, yaml, mzR, methods, Biobase, MSnbase, httr, enviPat, assertthat, logger, RCurl, readJDX, webchem, ChemmineR, ChemmineOB, R.utils, data.table
Suggests BiocStyle, gplots, RMassBankData(>= 1.33.1), xcms(>= 1.37.1), CAMERA, RUnit, knitr, rmarkdown
SystemRequirements OpenBabel
Depends On Me
Imports Me
Suggests Me RMassBankData
Links To Me
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Source Package RMassBank_3.10.0.tar.gz
Windows Binary RMassBank_3.10.0.zip
macOS Binary (x86_64) RMassBank_3.10.0.tgz
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Source Repository git clone https://git.bioconductor.org/packages/RMassBank
Source Repository (Developer Access) git clone git@git.bioconductor.org:packages/RMassBank
Bioc Package Browser https://code.bioconductor.org/browse/RMassBank/
Package Short Url https://bioconductor.org/packages/RMassBank/
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