Package: MetaboAnnotatoR 1.0.0

Goncalo Graca

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

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

Authors:Goncalo Graca [aut, cre], Yuheng Cai [aut], Timothy Ebbels [aut]

MetaboAnnotatoR_1.0.0.tar.gz
MetaboAnnotatoR_1.0.0.zip(r-4.7-any)MetaboAnnotatoR_1.0.0.zip(r-4.6-any)MetaboAnnotatoR_1.0.0.zip(r-4.5-any)
MetaboAnnotatoR_1.0.0.tgz(r-4.6-any)MetaboAnnotatoR_1.0.0.tgz(r-4.5-any)
MetaboAnnotatoR_1.0.0.tar.gz(r-4.7-any)MetaboAnnotatoR_1.0.0.tar.gz(r-4.6-any)
MetaboAnnotatoR_1.0.0.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
MetaboAnnotatoR/json (API)

# Install 'MetaboAnnotatoR' in R:
install.packages('MetaboAnnotatoR', repos = c('https://bioc-release.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/gggraca/metaboannotator/issues

Datasets:
  • acetaminophen - MetaboAnnotatoR fragment database entry for Acetaminophen Positive mode
  • LipidNeg - MetaboAnnotatoR Lipid Negative fragment libraries
  • LipidPos - MetaboAnnotatoR Lipid Positive fragment libraries
  • MetabolitesNeg - MetaboAnnotatoR Metabolite Negative fragment libraries
  • MetabolitesPos - MetaboAnnotatoR Metabolite Positive fragment libraries
  • pseudoMSMS - MetaboAnnotatoR-generated example pseudoMSMS spectrum and related data
  • RC - Pseudo-MS/MS spectra from MESA Lipid Positive LC-MS serum samples
  • rCandidates - MetaboAnnotatoR-generated example of ranked annotation candidates
  • xset - MESA cohort subset Lipid Positive LC-MS samples processed using XCMS

On BioConductor:MetaboAnnotatoR-1.1.2(bioc 3.24)MetaboAnnotatoR-1.0.0(bioc 3.23)

massspectrometrymetabolomics

7.09 score 15 stars 39 scripts 214 downloads 13 exports 136 dependencies

Last updated from:48ec722644 (on RELEASE_3_23). Checks:1 NOTE, 9 OK. Indexed: no.

TargetResultTimeFilesSyslog
bioc-checksNOTE203
linux-develOK566
source / vignettesOK263
linux-releaseOK671
macos-releaseOK367
macos-oldrelOK341
windows-develOK568
windows-releaseOK589
windows-oldrelOK489
wasm-releaseOK172

Exports:annotateAIFannotateRCcheckIsotopecompFraggenFragEntrygetPseudoMSMSmspToLibplotResultSpecrankScoreRCspecsaveAnnotationssearchLibxcmsSpec

Dependencies:abindaffyaffyioAnnotationFilteraskpassbase64encBHBiobaseBiocBaseUtilsBiocGenericsbiocmakeBiocManagerBiocParallelbslibcachemcliclueclustercodetoolscpp11crayoncrosstalkcurldata.tableDBIDelayedArraydigestdir.expirydoParalleldplyrevaluatefarverfastmapfilelockfontawesomeforeachformatRfsfutile.loggerfutile.optionsgenericsGenomicRangesggplot2gluegridExtragtablehighrhmshtmltoolshtmlwidgetshttrigraphimputeIRangesisobanditeratorsjquerylibjsonliteknitrlabelinglambda.rlaterlatticelazyevallifecyclelimmamagrittrMALDIquantMASSMassSpecWaveletMatrixMatrixGenericsmatrixStatsmemoiseMetaboCoreUtilsmimeMsCoreUtilsMsExperimentMsFeaturesMSnbaseMultiAssayExperimentmzIDmzRncdf4opensslotelpcaMethodspillarpkgconfigplotlyplyrpreprocessCoreprettyunitsprogresspromisesProtGenericsPSMatchPTModspurrrQFeaturesR6rappdirsRColorBrewerRcppreshape2Rhdf5librlangrmarkdownS4ArraysS4VectorsS7sassscalesSeqinfosnowSparseArraySpectrastatmodstringistringrSummarizedExperimentsystibbletidyrtidyselecttinytexutf8vctrsviridisLitevsnwithrxcmsxfunXMLXVectoryaml

Generate metabolite library entries
Introduction | Generate a library entry | Session Info
Rendered fromgen_library_entry.Rmdusingknitr::rmarkdown

Last update: 2026-03-18
Started: 2021-07-24

Introduction to MetaboAnnotatoR
Introduction | Installation | Example session | Feature table and data | Annotations | Save the annotations | Session Info
Rendered fromMetaboAnnotatoR.Rmdusingknitr::rmarkdown

Last update: 2026-03-18
Started: 2026-01-22

Import an MS/MS library
Introduction | Import .msp library | Session Info
Rendered fromimport_from_msp.Rmdusingknitr::rmarkdown

Last update: 2026-03-10
Started: 2021-11-28