AStream
Computational Tool
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General Information
DescriptionAn R package for annotating LC/MS metabolomic data
Homepagehttp://www.urr.cat/AStream/AStream.html
Publications
AStream: an R package for annotating LC/MS metabolomic data
Arnald Alonso; Antonio Julià; Antoni Beltran; Maria Vinaixa; Marta Díaz; Lourdes Ibañez; Xavier Correig; Sara Marsal
Summary: AStream, an R-statistical software package for the curation and identification of feature peaks extracted from liquid chromatography mass spectrometry (LC/MS) metabolomics data, is described. AStream detects isotopic, fragment and adduct patterns by identifying feature pairs that fulfill expected relational patterns. Data reduction by AStream allows compounds to be identified reliably and subsequently linked to metabolite databases. AStream provides researchers with a fast, reliable tool for summarizing metabolomic data, notably reducing curation time and increasing consistency of results.
Availability: The AStream R package and a study example can be freely accessed at http://www.urr.cat/AStream/AStream.html.
Contact: smarsal@ir.vhebron.net; ajulia@ir.vhebron.net
Supplementary information: Supplementary data are available at Bioinformatics online.
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