Mass spectrometric identification of cyclic polysulfides in sediment of the Eastern Gulf of Finland. I

Eur. J. Mass Spectrom. 10, 731–736 (2004)
DOI: 10.1255/ejms.661

Mass spectrometric identification of cyclic polysulfides in sediment of the Eastern Gulf of Finland. I

Larisa O. Khoroshko^a, Viatcheslav V. Takhistov^a, Varvara N. Petrova,^aIgor V. Viktorovskii,^a Mirja Lahtiperä^b and Jaakko Paasivirta^b,*
^aSaint-Petersburg Center of Ecological Safety, Russian Academy of Sciences, 197042 St.-Petersburg, Korpusnaya Str. 18, Russia
^bDepartment of Chemistry, University, PO Box 35, FIN-40351 Jyväskylä, Finland

ABSTRACT:

Structures of six cyclic polysulfides, previously unkown as organic environmental pollutants, were analyzed from a sediment sample from the Eastern Gulf of Finland. The determinations were done by gas chromatography connected to mass spectrometry. High resolution (HRMS) measurements of the isotopic composition of four compounds could be done to confirm their molecular formulae. Total low resolution (LRMS) spectra were used to elucidate structures of all six compounds by thermochemical approach, application of fragmentation rules and by ICLU simulation of the spectra. The compounds were deduced to be (in the order of GC-retention) 1,2,4-trithiacycloheptane, tetrathiacyclopentane, 1,2,4,5-tetrathia-cyclohexane, 1,2,3,4- tetrathiacycloheptane, 1,2,3,4-tetrathiacyclohexane and 1,2,4,6-tetrathiacyclooctane.

Keywords: electron impact mass spectra, high resolution mass measurement, novel sediment contaminants, simulation of mass spectra

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