title: AStream: an R package for annotating LC/MS metabolomic data.
abstract: 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.
  
  
  BACKGROUND
  The AStream R package and a study example can be freely accessed at http://www.urr.cat/AStream/AStream.html.
authors.affiliation: Grup de Recerca de Reumatologia, Institut de Recerca de l'Hospital Universitari Vall d'Hebrón (Univ. Autònoma de Barcelona), Barcelona, Spain.
authors.forename: Arnald
authors.initials: A
authors.lastname: Alonso
authors.forename: Antonio
authors.initials: A
authors.lastname: Julià
authors.forename: Antoni
authors.initials: A
authors.lastname: Beltran
authors.forename: Maria
authors.initials: M
authors.lastname: Vinaixa
authors.forename: Marta
authors.initials: M
authors.lastname: Díaz
authors.forename: Lourdes
authors.initials: L
authors.lastname: Ibañez
authors.forename: Xavier
authors.initials: X
authors.lastname: Correig
authors.forename: Sara
authors.initials: S
authors.lastname: Marsal
mesh_terms: D002247:Carbon Isotopes / Q000032:analysis; D002853:Chromatography, Liquid; D013058:Mass Spectrometry; D055432:Metabolomics / Q000379:methods*; D012984:Software
chemical_list: D002247:Carbon Isotopes