Accession Number : AD0709913

Title :   A STRETCH COMPUTER PROGRAM PROVIDING MASS SPECTROMETRY TABLES FOR CHEMICAL AGENT ANALYSIS.

Descriptive Note : Technical rept.,

Corporate Author : NAVAL WEAPONS LAB DAHLGREN VA

Personal Author(s) : Belsky,Robert C. ; Gordon,Louise P.

Report Date : MAY 1970

Pagination or Media Count : 32

Abstract : A computer program is described which generates tables that are useful in the interpretation of mass spectra. The tables give the molecular configurations of organic compounds that contain carbon and possibly any hydrogen, nitrogen, oxygen, and phosphorous, and are arranged in order of integer molecular mass computed by the use of each element's nearest integer atomic mass. For each configuration exhibited in the tables, the mass balance and certain ratio values are also computed. Mass balance is defined as the difference from the integer molecular mass, as described above, of the total computed mass of a molecular. The ratio values are the proportionality, due to the presence of isotopes, of the expected relative abundances exhibited by the spectrum in the vicinity of the molecular mass to charge (M/C). A FORTRAN IV listing of the program, and flow charts are included. (Author)

Descriptors :   (*MASS SPECTROSCOPY, COMPUTER PROGRAMS), MOLECULAR WEIGHT, ISOTOPES

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE