I presented a paper at PittCon 2012 describing the identification of “known unknowns.” The name of the session was “Accurate Mass and Novel Applications of Mass Spectrometry for Unknown Environmental Analyses Symposium” which was arranged by Michael Thurman and Imma Ferrer, University of Colorado.
My presentation summarized the approaches we employ at Eastman for the identification of unknowns including searching mass spectral databases (EI, CID) and “spectra-less” databases such as the CAS Registry and ChemSpider.
Here is a link to the talk:
Links to related articles on ChemSpider and CAS Registry (SciFinder/STN Express) can be found on the side bar of my webpage. Also additional information on creating, using, and distributing personal libraries in NIST format is found in those links.