DOI: 10.18129/B9.bioc.MetaboAnnotation  

Utilities for Annotation of Metabolomics Data

Bioconductor version: Release (3.17)

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] , Nir Shachaf [ctb]

Maintainer: Johannes Rainer <Johannes.Rainer at>

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


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biocViews Infrastructure, MassSpectrometry, Metabolomics, Software
Version 1.4.2
In Bioconductor since BioC 3.15 (R-4.2) (1.5 years)
License Artistic-2.0
Depends R (>= 4.0.0)
Imports BiocGenerics, MsCoreUtils, MetaboCoreUtils, ProtGenerics, methods, S4Vectors, Spectra(>= 1.9.12), BiocParallel, SummarizedExperiment, QFeatures, graphics, AnnotationHub, CompoundDb
Suggests testthat, knitr, msdata, BiocStyle, rmarkdown, plotly, shiny, shinyjs, DT, microbenchmark, mzR
Enhances RMariaDB, RSQLite
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