RMassBank: Workflow to process tandem MS files and build MassBank records

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.

Package details

AuthorMichael Stravs, Emma Schymanski, Steffen Neumann, Erik Mueller, with contributions from Tobias Schulze
Bioconductor views Bioinformatics ImmunoOncology MassSpectrometry Metabolomics Software
MaintainerRMassBank at Eawag <massbank@eawag.ch>
Package repositoryView on Bioconductor
Installation Install the latest version of this package by entering the following in R:
if (!requireNamespace("BiocManager", quietly = TRUE))


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RMassBank documentation built on Nov. 8, 2020, 6:06 p.m.