An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)

Current tools for liquid chromatography and mass spectrometry for metabolomic data cover a limited number of processing steps, whereas online tools are hard to use in a programmable fashion. This article introduces the Metabolite Automatic Identification Toolkit (MAIT) package, which makes it possib...

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Detalles Bibliográficos
Autores: Fernández Albert, Francesc, Llorach, Rafael, Andrés Lacueva, Ma. Cristina, Perera Lluna, Alexandre
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2014
País:España
Institución:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/107941
Acceso en línea:https://hdl.handle.net/2445/107941
Access Level:acceso abierto
Palabra clave:Cromatografia de líquids d'alta resolució
Espectrometria de masses
Metabòlits
High performance liquid chromatography
Mass spectrometry
Metabolites
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spelling An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)Fernández Albert, FrancescLlorach, RafaelAndrés Lacueva, Ma. CristinaPerera Lluna, AlexandreCromatografia de líquids d'alta resolucióEspectrometria de massesMetabòlitsHigh performance liquid chromatographyMass spectrometryMetabolitesCurrent tools for liquid chromatography and mass spectrometry for metabolomic data cover a limited number of processing steps, whereas online tools are hard to use in a programmable fashion. This article introduces the Metabolite Automatic Identification Toolkit (MAIT) package, which makes it possible for users to perform metabolomic end-to-end liquid chromatography and mass spectrometry data analysis. MAIT is focused on improving the peak annotation stage and provides essential tools to validate statistical analysis results. MAIT generates output files with the statistical results, peak annotation and metabolite identification. AVAILABILITY AND IMPLEMENTATION: http://b2slab.upc.edu/software-and-downloads/metabolite-automatic-identification-toolkit/.Oxford University Press2014info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://hdl.handle.net/2445/107941Articles publicats en revistes (Nutrició, Ciències de l'Alimentació i Gastronomia)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésReproducció del document publicat a: https://doi.org/10.1093/bioinformatics/btu136Bioinformatics, 2014, vol. 30, num. 13, p. 1937-1938https://doi.org/10.1093/bioinformatics/btu136cc-by-nc (c) , 2014http://creativecommons.org/licenses/by-nc/3.0/esinfo:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/1079412026-05-27T06:46:51Z
dc.title.none.fl_str_mv An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)
title An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)
spellingShingle An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)
Fernández Albert, Francesc
Cromatografia de líquids d'alta resolució
Espectrometria de masses
Metabòlits
High performance liquid chromatography
Mass spectrometry
Metabolites
title_short An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)
title_full An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)
title_fullStr An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)
title_full_unstemmed An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)
title_sort An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)
dc.creator.none.fl_str_mv Fernández Albert, Francesc
Llorach, Rafael
Andrés Lacueva, Ma. Cristina
Perera Lluna, Alexandre
author Fernández Albert, Francesc
author_facet Fernández Albert, Francesc
Llorach, Rafael
Andrés Lacueva, Ma. Cristina
Perera Lluna, Alexandre
author_role author
author2 Llorach, Rafael
Andrés Lacueva, Ma. Cristina
Perera Lluna, Alexandre
author2_role author
author
author
dc.subject.none.fl_str_mv Cromatografia de líquids d'alta resolució
Espectrometria de masses
Metabòlits
High performance liquid chromatography
Mass spectrometry
Metabolites
topic Cromatografia de líquids d'alta resolució
Espectrometria de masses
Metabòlits
High performance liquid chromatography
Mass spectrometry
Metabolites
description Current tools for liquid chromatography and mass spectrometry for metabolomic data cover a limited number of processing steps, whereas online tools are hard to use in a programmable fashion. This article introduces the Metabolite Automatic Identification Toolkit (MAIT) package, which makes it possible for users to perform metabolomic end-to-end liquid chromatography and mass spectrometry data analysis. MAIT is focused on improving the peak annotation stage and provides essential tools to validate statistical analysis results. MAIT generates output files with the statistical results, peak annotation and metabolite identification. AVAILABILITY AND IMPLEMENTATION: http://b2slab.upc.edu/software-and-downloads/metabolite-automatic-identification-toolkit/.
publishDate 2014
dc.date.none.fl_str_mv 2014
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/107941
url https://hdl.handle.net/2445/107941
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: https://doi.org/10.1093/bioinformatics/btu136
Bioinformatics, 2014, vol. 30, num. 13, p. 1937-1938
https://doi.org/10.1093/bioinformatics/btu136
dc.rights.none.fl_str_mv cc-by-nc (c) , 2014
http://creativecommons.org/licenses/by-nc/3.0/es
info:eu-repo/semantics/openAccess
rights_invalid_str_mv cc-by-nc (c) , 2014
http://creativecommons.org/licenses/by-nc/3.0/es
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Oxford University Press
publisher.none.fl_str_mv Oxford University Press
dc.source.none.fl_str_mv Articles publicats en revistes (Nutrició, Ciències de l'Alimentació i Gastronomia)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,300719

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