MetaboAnnotation

DOI: 10.18129/B9.bioc.MetaboAnnotation    

This is the development version of MetaboAnnotation; for the stable release version, see MetaboAnnotation.

Utilities for Annotation of Metabolomics Data

Bioconductor version: Development (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")

# The following initializes usage of Bioc devel
BiocManager::install(version='devel')

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")

 

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

Details

biocViews Infrastructure, MassSpectrometry, Metabolomics, Software
Version 1.3.0
In Bioconductor since BioC 3.15 (R-4.2) (0.5 years)
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
LinkingTo
Suggests testthat, knitr, msdata, BiocStyle, rmarkdown, plotly, shiny, shinyjs, DT, AnnotationHub
SystemRequirements
Enhances RMariaDB, RSQLite
URL https://github.com/RforMassSpectrometry/MetaboAnnotation
BugReports https://github.com/RforMassSpectrometry/MetaboAnnotation/issues
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_1.3.0.tar.gz
Windows Binary
macOS Binary (x86_64)
macOS Binary (arm64)
Source Repository git clone https://git.bioconductor.org/packages/MetaboAnnotation
Source Repository (Developer Access) git clone git@git.bioconductor.org:packages/MetaboAnnotation
Package Short Url https://bioconductor.org/packages/MetaboAnnotation/
Package Downloads Report Download Stats

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