Accession Number : AD0702110

Title :   COMPUTER PROGRAMS TO AID IN THE DETERMINATION OF UNIQUE MOLECULAR FORMULAE FROM MASS SPECTRAL DATA.

Descriptive Note : Summary technical rept. 1 Jul 67-31 Jan 69,

Corporate Author : MELLON INST PITTSBURGH PA

Personal Author(s) : Anderson,Robert L. ; Boal,James R.

Report Date : OCT 1969

Pagination or Media Count : 44

Abstract : Two computer programs developed to aid research in the application of mass spectrometric techniques to the determination of elemental composition of unknown samples are described. Annotated listings in FORTRAN are included together with instructions for the preparation of input data decks. A sample data set with the correct computer results is provided to aid the understanding of these instructions. The philosophy behind the computations performed by both programs is briefly discussed. (Author)

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

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE