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:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat: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 Press2017201720142017info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersion2 p.application/pdfhttps://hdl.handle.net/2445/107941Articles publicats en revistes (Nutrició, Ciències de l'Alimentació i Gastronomia)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)InglésReproducció 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:recercat.cat:2445/1079412026-05-29T05:05:01Z
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
2017
2017
2017
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 2 p.
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:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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