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Program for elemental analysis using low or medium resolution mass spectra
Author(s) -
Kavanagh Peter E.
Publication year - 1980
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210150704
Subject(s) - fragment (logic) , mass spectrum , ion , resolution (logic) , isotope , spectral line , polyatomic ion , low resolution , elemental analysis , chemistry , atomic physics , analytical chemistry (journal) , high resolution , physics , nuclear physics , mathematics , algorithm , computer science , inorganic chemistry , geology , chromatography , remote sensing , organic chemistry , astronomy , artificial intelligence
A program, called ELANAL, has been written in basic which computes all possible empirical formulae for a molecular ion or a fragment ion containing up to eleven common elements. The program then calculates the expected intensities of the peaks following the molecular or fragment ion due to heavier isotopes in the formulae. These calculated intensities are compared with the intensities in an experimentally determined mass spectrum.