This is the released version of MetaboAnnotation; for the devel version, see MetaboAnnotation.
Utilities for Annotation of Metabolomics DataBioconductor version: Release (3.21)
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] ORCID: 0000-0002-1462-4426 , Johannes Rainer [aut, cre] ORCID: 0000-0002-6977-7147 , Andrea Vicini [aut] ORCID: 0000-0001-9438-6909 , Carolin Huber [aut] ORCID: 0000-0002-9355-8948 , Philippine Louail [aut] ORCID: 0009-0007-5429-6846 , Nir Shachaf [ctb]
Maintainer: Johannes Rainer <Johannes.Rainer at eurac.edu>
Citation (from within R, entercitation("MetaboAnnotation")): Installation
To install this package, start R (version "4.5") 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.
DocumentationTo view documentation for the version of this package installed in your system, start R and enter:
browseVignettes("MetaboAnnotation")Follow Installation instructions to use this package in your R session.
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