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

doi:10.1093/bioinformatics/btr138

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

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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.

Idioma original	Anglès
Número d’article	btr138
Pàgines (de-a)	1339-1340
Revista	Bioinformatics
Volum	27
Número	9
DOIs	https://doi.org/10.1093/bioinformatics/btr138
Estat de la publicació	Publicada - 1 de maig 2011

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10.1093/bioinformatics/btr138

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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. {\textcopyright} The Author 2011. Published by Oxford University Press. All rights reserved.",

author = "Arnald Alonso and Antonio Juli{\`a} and Antoni Beltran and Maria Vinaixa and Marta D{\'i}az and Lourdes Iba{\~n}ez and Xavier Correig and Sara Marsal",

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AU - Alonso, Arnald

AU - Julià, Antonio

AU - Beltran, Antoni

AU - Vinaixa, Maria

AU - Díaz, Marta

AU - Ibañez, Lourdes

AU - Correig, Xavier

AU - Marsal, Sara

PY - 2011/5/1

Y1 - 2011/5/1

N2 - 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.

AB - 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.

U2 - 10.1093/bioinformatics/btr138

DO - 10.1093/bioinformatics/btr138

M3 - Article

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SP - 1339

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JO - Bioinformatics

JF - Bioinformatics

IS - 9

M1 - btr138

ER -

AStream: An R package for annotating LC/MS metabolomic data

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