Fragmentation pathways of some benzothiophene radical cations formed by atmospheric pressure chemical ionisation.
Polycyclic aromatic sulfur-containing compounds (PASHs) are commonly found in fossil fuels and are of considerable importance in environmental studies. This work presents detailed studies on the fragmentation patterns of radical cations formed from four representative PASHs, benzo[b]thiophene, dibenzothiophene, 4-methyldibenzothiophene and 4,6-dimethyldibenzothiophene, using tandem atmospheric pressure chemical ionization mass spectrometry (APCI-MS/MS). Understanding these fragmentation patterns can be a useful aid in the analysis of PASHs employing APCI or electron ionization (EI-MS/MS), either alone or in conjunction with liquid or gas chromatography.
Herrera
Lisandra Cubero
LC
Department of Chemistry, Dalhousie University, Halifax, NS, Canada B3H 4J3.
Ramaley
Louis
L
Grossert
J Stuart
JS
D001274:Atmospheric Pressure; D002412:Cations; D002849:Chromatography, Gas / Q000379:methods*; D002853:Chromatography, Liquid / Q000379:methods*; D003198:Computer Simulation; D005609:Free Radicals / Q000737:chemistry; D008956:Models, Chemical; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D013876:Thiophenes / Q000032:analysis* / Q000737:chemistry*
D002412:Cations; D005609:Free Radicals; D013876:Thiophenes; C088015:benzothiophene