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Computing Fragmentation Trees from Metabolite Multiple Mass Spectrometry Data
2011
Journal of Computational Biology
Since metabolites cannot be predicted from the genome sequence, high-throughput de-novo identification of small molecules is highly sought. Mass spectrometry (MS) in combination with a fragmentation technique is commonly used for this task. Unfortunately, automated analysis of such data is in its infancy. Recently, fragmentation trees have been proposed as an analysis tool for such data. Additional fragmentation steps (MS n ) reveal more information about the molecule. We propose to use MS n
doi:10.1089/cmb.2011.0168
pmid:22035289
fatcat:eswodvv2nrepfmdb4i7unucmhu