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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 eurac.edu>

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

Installation

To install this package, start R (version "4.3") 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")
Annotation of MS-based Metabolomics Data HTML R Script
Reference Manual PDF
NEWS Text

Details

biocViews Infrastructure, MassSpectrometry, Metabolomics, Software
Version 1.4.1
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, CompoundDb
Linking To
Suggests testthat, knitr, msdata, BiocStyle, rmarkdown, plotly, shiny, shinyjs, DT, AnnotationHub, microbenchmark, mzR
System Requirements
Enhances RMariaDB, RSQLite
URL https://github.com/RforMassSpectrometry/MetaboAnnotation
Bug Reports https://github.com/RforMassSpectrometry/MetaboAnnotation/issues
See More
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_1.4.1.tar.gz
Windows Binary MetaboAnnotation_1.4.1.zip (64-bit only)
macOS Binary (x86_64) MetaboAnnotation_1.4.1.tgz
macOS Binary (arm64) MetaboAnnotation_1.4.1.tgz
Source Repository git clone https://git.bioconductor.org/packages/MetaboAnnotation
Source Repository (Developer Access) git clone git@git.bioconductor.org:packages/MetaboAnnotation
Bioc Package Browser https://code.bioconductor.org/browse/MetaboAnnotation/
Package Short Url https://bioconductor.org/packages/MetaboAnnotation/
Package Downloads Report Download Stats
Old Source Packages for BioC 3.17 Source Archive