Since CHIME version 2 can display both spectra and molecular
graphics and link between the two, then why not use hyperlinks in
the spectrum to show the origin of the peaks by displaying
animations of fragmentations.
The MS spectra were recorded and saved as JCAMP-DX files and header lines
added to make the links between the spectrum and molecular
graphic display. Clicking on a (major) peak in the MS should
cause an animation file to be loaded which shows a
fragmentation.
Worked samples available so far include:
A set of animations showing vibrational modes linked to IR spectra using CHIME 2 has been developed as well.
URL: http://wwwchem.uwimona.edu.jm/spectra/msanim/index.html