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

Marie Brown, David C. Wedge, Royston Goodacre, Douglas B. Kell, Philip N. Baker, Louise C. Kenny, Mamas A. Mamas, Ludwig Neyses, Warwick B. Dunn. Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets. Bioinformatics, 28(1):149, 2012. [doi]

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