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

Summary: 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...

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Autores principales: Fernández-Albert, Francesc, Llorach, Rafael, Andrés-Lacueva, Cristina, Perera, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2014
Materias:
Applications Notes
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4071204/
https://www.ncbi.nlm.nih.gov/pubmed/24642061
http://dx.doi.org/10.1093/bioinformatics/btu136
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author Fernández-Albert, Francesc
Llorach, Rafael
Andrés-Lacueva, Cristina
Perera, Alexandre
author_facet Fernández-Albert, Francesc
Llorach, Rafael
Andrés-Lacueva, Cristina
Perera, Alexandre
author_sort Fernández-Albert, Francesc
collection PubMed
description Summary: 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/. Contact: francesc.fernandez.albert@upc.edu Supplementary information: Supplementary data are available at Bioinformatics online
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spelling pubmed-40712042014-06-26 An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit) Fernández-Albert, Francesc Llorach, Rafael Andrés-Lacueva, Cristina Perera, Alexandre Bioinformatics Applications Notes Summary: 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/. Contact: francesc.fernandez.albert@upc.edu Supplementary information: Supplementary data are available at Bioinformatics online Oxford University Press 2014-07-01 2014-03-17 /pmc/articles/PMC4071204/ /pubmed/24642061 http://dx.doi.org/10.1093/bioinformatics/btu136 Text en © The Author 2014. Published by Oxford University Press. http://creativecommons.org/licenses/by-nc/3.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/3.0/), which permits non-commercial re-use, distribution, and reproduction in any medium, provided the original work is properly cited. For commercial re-use, please contact journals.permissions@oup.com
spellingShingle Applications Notes
Fernández-Albert, Francesc
Llorach, Rafael
Andrés-Lacueva, Cristina
Perera, Alexandre
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)
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_short An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)
title_sort r package to analyse lc/ms metabolomic data: mait (metabolite automatic identification toolkit)
topic Applications Notes
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4071204/
https://www.ncbi.nlm.nih.gov/pubmed/24642061
http://dx.doi.org/10.1093/bioinformatics/btu136
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