Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets

Motivation: The study of metabolites (metabolomics) is increasingly being applied to investigate microbial, plant, environmental and mammalian systems. One of the limiting factors is that of chemically identifying metabolites from mass spectrometric signals present in complex datasets. Results: Thre...

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Detalhes bibliográficos
Main Authors: Brown, Marie, Wedge, David C., Goodacre, Royston, Kell, Douglas B., Baker, Philip N., Kenny, Louise C., Mamas, Mamas A., Neyses, Ludwig, Dunn, Warwick B.
Formato: Artigo
Idioma:Inglês
Publicado em: Oxford University Press 2011
Assuntos:
Original Papers
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3709197/
https://ncbi.nlm.nih.gov/pubmed/21325300
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btr079
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