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MetaboAnnotation
This package is for version 3.15 of Bioconductor; for the stable, up-to-date release version, see MetaboAnnotation.
Utilities for Annotation of Metabolomics Data
Bioconductor version: 3.15
High level functions to assist in annotation of (metabolomics) data sets. These include functions to perform simple tentative annotations based on mass matching but also functions to consider m/z and retention times for annotation of LC-MS features given that respective reference values are available. In addition, the function provides high-level functions to simplify matching of LC-MS/MS spectra against spectral libraries and objects and functionality to represent and manage such matched data.
Author: Michael Witting [aut] , Johannes Rainer [aut, cre] , Andrea Vicini [aut] , Carolin Huber [aut]
Maintainer: Johannes Rainer <Johannes.Rainer at eurac.edu>
citation("MetaboAnnotation")):
Installation
To install this package, start R (version "4.2") and enter:
if (!require("BiocManager", quietly = TRUE))
install.packages("BiocManager")
BiocManager::install("MetaboAnnotation")
For older versions of R, please refer to the appropriate Bioconductor release.
Documentation
To view documentation for the version of this package installed in your system, start R and enter:
browseVignettes("MetaboAnnotation")
Details
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Follow Installation instructions to use this package in your R session.