Subject: Graph-theoretical description of mass spectra

From: <[email-masked]>
Date: Fri, 4 Aug 95 12:46:49 MET

Dear Netters,

we are planning to develop methods for the automatic interpretation
of mass spectra. In this context, we are also thinking of describing
the spectra by graphs, for example peaks are vertices and the edges
reflect some kind of "B comprises A".

We would like to get in contact with scientist who have also some experience in
this field. Moreover, we would appreciate any pointers to literature
on automated interpretation of mass spectra in general and on the usage
of graphs for that in particular.

I will summarize the answers if there is enough interest.

Thanks in advance.

Best wishes,
Th. Wieland

P.S.: The summary of my recent question to CCL on topological indices
      will come soon. I'm still waiting for some sources to answer.

Thomas Wieland               +---------------+
Dipl. Math.                  |+----    +----+|
Lehrstuhl II f. Mathematik   |\    \   |    ||
Universitaet Bayreuth        | \    \  |    ||
                             |  \    \ |    ||
95440 Bayreuth               |   \    \\    ||
Germany                      |    \    \\   ||
Tel. +49 (921) 553386        |     \     \\ ||
Fax  +49 (921) 553385        |      \-------||
                             +---------------+