GCMS display using JSpecView applet with JCAMP-DX GC and MS files

The JSpecView applet can display spectra while molecular graphics can be displayed with MDL Chime, Jmol and Marvin. To link between these, it is possible to use JavaScripts, Rasmol or MDL Chime scripts to show the origin of the peaks.

The experimental GC spectrum was recorded and saved as a JCAMP-DX file and likewise the related MS spectra. Clicking on a peak in the GC loads a script written to show both the Mass Spectrum and the molecular graphic display of that species.

Fully worked samples available so far include:

A set of animations showing Mass Spectrum fragmentation and NMR links using JSpecView has been developed as well.

Return to IR page or spectroscopy pages, including NMR, MS and UV-Vis.

Copyright © 2005-2007 by Robert John Lancashire, all rights reserved.

Created and maintained by Prof. Robert J. Lancashire,
The Department of Chemistry, University of the West Indies,
Mona Campus, Kingston 7, Jamaica.
Created April 2005. Links checked and/or last modified 13th November 2007.
URL http://wwwchem.uwimona.edu.jm/spectra/JSpecView/gcms/index.html