MetaboAnnotation

DOI: 10.18129/B9.bioc.MetaboAnnotation    

Utilities for Annotation of Metabolomics Data

Bioconductor version: Release (3.15)

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]

Maintainer: Johannes Rainer <Johannes.Rainer at eurac.edu>

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

Installation

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

 

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

Details

biocViews Infrastructure, MassSpectrometry, Metabolomics, Software
Version 1.0.0
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(>= 1.5.7), BiocParallel, SummarizedExperiment, QFeatures, graphics
LinkingTo
Suggests testthat, knitr, msdata, BiocStyle, rmarkdown, plotly, shiny, shinyjs, DT
SystemRequirements
Enhances
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_1.0.0.tar.gz
Windows Binary MetaboAnnotation_1.0.0.zip
macOS Binary (x86_64) MetaboAnnotation_1.0.0.tgz
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

Documentation »

Bioconductor

R / CRAN packages and documentation

Support »

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