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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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.
Formáid: Artigo
Teanga:Inglês
Foilsithe: Oxford University Press 2011
Ábhair:
Original Papers
Rochtain Ar Líne: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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