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Sample Set Information

Title Regular expressions of MS/MS spectra for partial annotation of metabolite features
Description Partial annotation and characterization of metabolite structures on the basis of data from tandem mass spectrometry (MS/MS) spectra are technical bottlenecks in metabolomics. Novel approaches should be explored for evaluation of spectral similarities among structurally related compounds as well as for description of fragmentation motifs commonly observed in MS/MS spectra.
Authors Fumio Matsuda
Reference Matsuda (2016) Metabolomics, July, 12:113
Comment MS/MS strings of MassBank dataset and MS/MS strings of Arabidopsis (ATH) and rice (OSA) MS/MS spectra data are stored in DROP Met as "Test dataset for the regular expression of MS/MS spectra data"

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The raw data files are available at DROP Met web site in PRIMe database of RIKEN.

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