Hi Chiarina, The step 1) is already implemented. Currently it is the part of Chromatogram builder, but from MZmine 2.3 it will be a separate module, because there is a need for providing this kind of "mass detection" for MS2 data in several places in MZmine.
I believe nobody is working on step 2) at this moment. If you want to start working on that, I can help you. But first please let me know whether you have any experience with Java programming :) Best regards, Tomas On May 25, 2011, at 8:11 PM, Chiarina Darrah wrote: > 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 > ch...@psb.vib-ugent.be 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 > Mzmine-devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/mzmine-devel > =============================================== Tomas Pluskal G0 Cell Unit, Okinawa Institute of Science and Technology 1919-1 Tancha, Onna-son, Okinawa 904-0412, Japan TEL: +81-98-966-8684 ------------------------------------------------------------------------------ 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 Mzmine-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/mzmine-devel
