DOI: 10.18129/B9.bioc.MetaboAnnotation  

This package is for version 3.16 of Bioconductor; for the stable, up-to-date release version, see MetaboAnnotation.

Utilities for Annotation of Metabolomics Data

Bioconductor version: 3.16

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")):


To install this package, start R (version "4.2") and enter:

if (!require("BiocManager", quietly = TRUE))


For older versions of R, please refer to the appropriate Bioconductor release.


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



HTML R Script Annotation of MS-based Metabolomics Data
PDF   Reference Manual
Text   NEWS


biocViews Infrastructure, MassSpectrometry, Metabolomics, Software
Version 1.2.0
In Bioconductor since BioC 3.15 (R-4.2) (1 year)
License Artistic-2.0
Depends R (>= 4.0.0)
Imports BiocGenerics, MsCoreUtils, MetaboCoreUtils, ProtGenerics, methods, S4Vectors, Spectra(>= 1.7.2), BiocParallel, SummarizedExperiment, QFeatures, graphics, CompoundDb
Suggests testthat, knitr, msdata, BiocStyle, rmarkdown, plotly, shiny, shinyjs, DT, AnnotationHub
Enhances RMariaDB, RSQLite
Depends On Me
Imports Me
Suggests Me
Links To Me
Build Report  

Package Archives

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

Source Package MetaboAnnotation_1.2.0.tar.gz
Windows Binary
macOS Binary (x86_64) MetaboAnnotation_1.2.0.tgz
macOS Binary (arm64) MetaboAnnotation_1.2.0.tgz
Source Repository git clone
Source Repository (Developer Access) git clone
Bioc Package Browser
Package Short Url
Package Downloads Report Download Stats

Documentation »


R / CRAN packages and documentation

Support »

Please read the posting guide. Post questions about Bioconductor to one of the following locations: