THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by D. Andrews and S. A. Hagstrom, Department of Chemistry, Indiana University, Bloomington, Indiana 47405

CLUSTR is an interactive stable isotope cluster prediction program; it is extremely portable and will run on nearly any system. The only system-dependent code involves the OPENing of external files. This code may easily be altered to satisfy the syntax requirements of the host system.

Much of this program is derived from a public-domain program presented at the 1983 American Society for Mass Spectrometry meetings by Dr. Rich Lapp of the Midwest Regional Mass Spectrometry Center, University of Nebraska, Lincoln, Nebraska. The major embellishments have made the program more user friendly, and the reference arrays have been expanded to include the mass and abundance constants for all non-radioactive isotopic species. The first eighty-three elements, Hydrogen through Bismuth inclusive, may be entered.

CLUSTR will assist the mass spectroscopist by generating an intensity profile of the peaks surrounding the parent ion. These peaks are present due to the existence of the stable isotopes of the various elements in the compound. The user enters the molecular formula for a given compound and is then provided with a nominal mass versus normalized abundance histogram. All pertinent screen dumps are saved in a transcript file (TRANSC) of which the user may get a hard copy.

FORTRAN 77 (VAX 11/780) Lines of Code: 878