Hi everyone, we are interested in creating a plugin that can search Massbank MSMS libraries to facilitate compound identification in our plant extracts - the current online databases which are linked to are all just using mass which of course returns huge numbers of spurious results, and often plant secondary metabolites are not well represented in these databases. To do this, we need, 1) a way of converting MSMS spectra to text files comprising a simple list of m/z and intensity pairs http://www.massbank.jp/sample/sample.txt, and 2) a way of interacting with the Massbank databases http://www.massbank.jp/SearchPage.html or a similar, personal massbank format database. So, two questions: is anybody doing this already? Or, can we have some clues about, the strategy and software you guys would use to write this stuff? Where would you guys start? Thanks for your input, Chiarina Darrah
-- ================================================================== Chiarina Darrah Tel:+32 (0)9 331 38 85 fax:+32 (0)9 3313809 VIB Department of Plant Systems Biology, Ghent University Technologiepark 927, 9052 Gent, BELGIUM [email protected] http://www.psb.vib-ugent.be ================================================================== ------------------------------------------------------------------------------ vRanger cuts backup time in half-while increasing security. With the market-leading solution for virtual backup and recovery, you get blazing-fast, flexible, and affordable data protection. Download your free trial now. http://p.sf.net/sfu/quest-d2dcopy1 _______________________________________________ Mzmine-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/mzmine-devel
