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Main Title Applications of Information Theory and Pattern Recognition to Gas Chromatography-Mass Spectrometric Analysis of Toxic Organic Compounds in Ambient Air.
Author Scott, D. R. ;
CORP Author Environmental Monitoring Systems Lab., Research Triangle Park, NC.
Year Published 1986
Report Number EPA/600/D-86/103;
Stock Number PB86-196706
Additional Subjects Toxicology ; Air pollution control ; Organic compounds ; Gas chromatography ; Mass spectrometry ; Information theory ; Pattern recognition ; Sampling ;
Library Call Number Additional Info Location Last
NTIS  PB86-196706 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 17p
Abstract The number of information channels contained in the gas chromatographic, mass spectrometric, and combined gas chromatography-mass spectrometric analysis of 78 toxic organic compounds has been determined. The toxic compounds are those routinely monitored in ambient air samples using Tenax collection and gas chromatography-mass spectrometric analysis. The Shannon information content of the binary encoded and full intensity mass spectra, of the gas chromatographic retention times, and of the combined gas chromatographic-mass spectrometric spectra of the 78 compounds has been calculated. The maximum binary information contents of the 35 channel gas chromatographic, 17 key channel mass spectral, and the 595 channel gas chromatographic-mass spectral methods were 6.4, 15.4, and < 21.8 bits, respectively. The 17 masses with the highest binary information content with regard to the 78 compounds were used with SIMCA pattern recognition to determine four classes among the 78 compounds. These included aromatics without chlorine substitution, chloroaromatics, bromoalkanes and alkenes, and chloroalkanes and alkenes.
PUB Date Free Form May 86
Category Codes 6T; 57Y; 68A
NTIS Prices PC A02/MF A01
Primary Description 600/08
Document Type NT
Cataloging Source NTIS/MT
Control Number 618821729
Origin NTIS
Type CAT