To judge the possible effectiveness of comparing spectra based on a hash of their peaks I wrote a program to take a list of spectra and convert them to hashes. From that set of spectra there were two pairs of sibling spectra that should be close matches as I am confident that they are derived [...] Read More

Note to Brian: try simply summing the intensities of peaks that come within a certain delta of a frag mass. Then divide that sum by Max(peak intensities). This will often grab more than one peak for a fragment, but this may produce good results as often multiple peaks cluster closely around ions. Read More