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

    Research output: Contribution to journalArticleResearchpeer-review

    39 Citations (Scopus)

    Abstract

    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. © The Author 2011. Published by Oxford University Press. All rights reserved.
    Original languageEnglish
    Article numberbtr138
    Pages (from-to)1339-1340
    JournalBioinformatics
    Volume27
    Issue number9
    DOIs
    Publication statusPublished - 1 May 2011

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