Citation:

Scott, D. PROBABILITIES OF PEAK OCCURRENCE AND INFORMATION CONTENT OF THE NBS/EPA/MSDC MASS SPECTRAL DATABASE. U.S. Environmental Protection Agency, Washington, D.C., EPA/600/J-89/314 (NTIS PB90200676), 1989.

Description:

The probabilities of peak occurrence and binary information contents were calculated for the 43990 mass spectra in the 1987 NBS/EPA/MSDC database. he median molecular weight of compounds in the database was 230. ompounds composed of combinations of C, H, N, and 0 comprised 64% of the spectra. he number of base peaks per mass channel was also tabulated. 0480 spectra subset of compounds with low molecular weights was selected as a volatile compound database. he median molecular weight of this group was 189. he probabilities and information contents of this set of spectra and the volatile hydrocarbons, genated hydrocarbons, chloro compounds, and bromohgdrocarbons were calculated. he most common peak in the entire database and in the volatile set occurred at mass 41. ll peaks in both of these sets of spectra with probabilities greater than 0.50 occurred below mass 78. he probabilities over the total and volatile database showed a general decrease with increasing mass channel with a division into odd and even mass curves which converged at high masses. ass channels with 0.90 to 1.0 bit information content occurred below ca. mass 100. nformation contents decreased with increasing mass and the two odd and even mass curves were superimposed on the general trend.

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