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MetaboAnnotatoR

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

Automated Annotation of All-Ion Fragmentation LC-MS Metabolomic Features


Bioconductor version: Development (3.24)

Performs feature annotations on LC-MS All-ion fragmentation datasets using fragment ion libraries.

Author: Goncalo Graca [aut, cre] ORCID iD ORCID: 0000-0002-0876-3876 , Yuheng (Rene) Cai [aut], Timothy Ebbels [aut]

Maintainer: Goncalo Graca <ggraca22 at gmail.com>

Citation (from within R, enter citation("MetaboAnnotatoR")):
Seminal Bioconductor project articles:

Huber W, Carey VJ, Gentleman R, Anders S, Carlson M, Carvalho BS, Bravo HC, Davis S, Gatto L, Girke T, Gottardo R, Hahne F, Hansen KD, Irizarry RA, Lawrence M, Love MI, MacDonald J, Obenchain V, Oleś AK, Pagès H, Reyes A, Shannon P, Smyth GK, Tenenbaum D, Waldron L, Morgan M (2015). "Orchestrating high-throughput genomic analysis with Bioconductor." Nature Methods, 12(2), 115–121. doi:10.1038/nmeth.3252.

Gentleman RC, Carey VJ, Bates DM, Bolstad B, Dettling M, Dudoit S, Ellis B, Gautier L, Ge Y, Gentry J, Hornik K, Hothorn T, Huber W, Iacus S, Irizarry R, Leisch F, Li C, Maechler M, Rossini AJ, Sawitzki G, Smith C, Smyth G, Tierney L, Yang JYH, Zhang J (2004). "Bioconductor: open software development for computational biology and bioinformatics." Genome Biology, 5(10), R80. doi:10.1186/gb-2004-5-10-r80.

Installation

To install this package, start R (version "4.6") and enter:


if (!require("BiocManager", quietly = TRUE))
    install.packages("BiocManager")

## The following initializes the development version of Bioconductor
BiocManager::install(version = "devel")

BiocManager::install("MetaboAnnotatoR")

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("MetaboAnnotatoR")
Generate metabolite library entries HTML R Script
Import an MS/MS library HTML R Script
Introduction to MetaboAnnotatoR HTML R Script
Reference Manual PDF
NEWS Text

Details

biocViews MassSpectrometry, Metabolomics, Software
Version 1.1.1
In Bioconductor since BioC 3.23 (R-4.6) (< 6 months)
License GPL-3
Depends R (>= 4.5.0), xcms(>= 3.0.0), MSnbase(>= 2.16.1), ProtGenerics
Imports ggplot2 (>= 3.3.3), gridExtra (>= 2.3)
System Requirements
URL https://github.com/gggraca/MetaboAnnotatoR
Bug Reports https://github.com/gggraca/MetaboAnnotatoR/issues
See More
Suggests rmarkdown, knitr, testthat (>= 3.0.0), BiocStyle, MsDataHub
Linking To
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Depends On Me
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Build Report Build Report

Package Archives

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

Source Package MetaboAnnotatoR_1.1.1.tar.gz
Windows Binary (x86_64) MetaboAnnotatoR_1.1.1.zip
macOS Binary (big-sur-x86_64) MetaboAnnotatoR_1.1.1.tgz
macOS Binary (sonoma-arm64) MetaboAnnotatoR_1.1.1.tgz
Source Repository git clone https://git.bioconductor.org/packages/MetaboAnnotatoR
Source Repository (Developer Access) git clone git@git.bioconductor.org:packages/MetaboAnnotatoR
Bioc Package Browser https://code.bioconductor.org/browse/MetaboAnnotatoR/
Package Short Url https://bioconductor.org/packages/MetaboAnnotatoR/
Package Downloads Report Download Stats