source("http://bioconductor.org/biocLite.R")
biocLite("RMassBank")

RMassBank

Workflow to process tandem MS files and build MassBank records

Bioconductor version: 2.13

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>

Installation

To install this package, start R and enter:

source("http://bioconductor.org/biocLite.R")
biocLite("RMassBank")

Documentation

To view documentation for the version of this package installed in your system, start R and enter:

browseVignettes("RMassBank")

 

PDF	R Script	RMassBank non-standard usage
PDF	R Script	RMassBank walkthrough
PDF		Reference Manual

Details

biocViews	Bioinformatics, MassSpectrometry, Metabolomics, Software
Version	1.4.0
In Bioconductor since	BioC 2.11 (R-2.15)
License	Artistic-2.0
Depends	mzR, rcdk, yaml, methods
Imports	XML, RCurl, rjson
Suggests	gplots, RMassBankData, xcms(>= 1.37.1), CAMERA, ontoCAT, RUnit
System Requirements	OpenBabel
URL
Depends On Me
Imports Me
Suggests Me	RMassBankData

Package Archives

Follow Installation instructions to use this package in your R session.

Package Source	RMassBank_1.4.0.tar.gz
Windows Binary	RMassBank_1.4.0.zip (32- & 64-bit)
Mac OS X 10.6 (Snow Leopard)	RMassBank_1.4.0.tgz
Browse/checkout source	(username/password: readonly)
Package Downloads Report	Download Stats