Abstract
The unique value of charge inversion reactions in mass spectroscopy/mass spectroscopy (MS/MS) for direct characterization of polycyclic aromatic hydrocarbons in untreated solvent-refined coal is demonstrated. The positive ion MS/MS spectra of polycyclic aromatic hydrocarbons (PAHs) recorded for each of several molecular ions precursors, M/sup -/, M/sup +/, (M-H)/sup -/, and (M + H)/sup +/, show profiles which are distinctive and valuable in recognizing these compounds. Conventional electron impact mass spectra show a smaller number of fragmentations, including loss of C/sub 2/ moieties in high relative abundance. The striking differences between electron impact spectra and the various forms of MS/MS are being explored. These data demonstrate that a number of complementary reactions can be used as the basis for obtaining MS/MS spectra of polycyclic aromatics. Individual transitions in these spectra can be used to quantify PAHs in intact coal liquids. The detection limits and optimum analysis method for a series of PAHs commonly found in SRC-II at parts-per-million levels are currently being evaluated.
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