Mass Spectrometric Identification of Novel Polychlorinated Phenyl Salicylates in Sediments of a River Contaminated by Industrial Wastes

Abstract

Analyses of chlorinated aromatic contaminants in industrially polluted sediments of the Kymijoki River, SouthEast Finland, were extended to the search of previously unknown pollutants by gas chromatography/mass spectrometry. In the fraction of persistent organochlorines, a series of substances were identified as octa-to tetra-chlorinated phenyl esters of 2-hydroxybenzoic acids (most probably all polychlorinated phenyl salicylates). All their mass spectra were previously unknown and interpreted by fragmentation rules, appearance energy calculations and simulation.

Mass Spectrometric Identification of Cyclic Polysulfides in Sediment from the Eastern Gulf of Finland. II

“…Similarly, ICLU is successful in giving further proof to chlorine-bromine-and silicon-organic compounds from their mass spectra from environmental or chemical process mixtures. [13][14][15] After calculation of the relative peak intensities of each cluster, the cluster is converted to the observed intensities, taking the intensity of the first peak of each observed cluster as the intensity standard and then all clusters were added together to obtain the simulated ("theoretical") LRMS. Where HRMS measurement is not available, the LMRS simulation of the total spectrum using ICLU procedures can help in verifying the probable structure.…”