title: Mass spectral characterization of the K-region and non K-region dihydrodiols of 7,12-dimethylbenz (a) anthracene.
abstract: Dihydrodiols are derived from intermediary arene oxides during the metabolism of polycyclic aromatic hydrocarbons. In this study, the mass spectra of the trimethylsilyl ether derivatives obtained from the 5,6-dihydrodiol and 8,9-dihydrodiol of 7,12-dimethylbenz [a] anthracene were compared. The mass spectral fragmentation patterns indicate some key features in distinguishing a K-region dihydrodiol from its non K-region isomer. The 8,9-dihydrodiol, a non K-region metabolite, exhibits a greater tendency to undergo a ring contraction fragmentation process while the K-region 5,6-dihydrodiol participates preferably in other fragmentation pathways. The data presented in this report will be useful in charcterizing K-region and nonK-region metabolic epoxidation of polycyclic aromatic hydrocarbons.
mesh_terms: D015127:9,10-Dimethyl-1,2-benzanthracene / Q000031:analogs & derivatives / Q000032:analysis* / Q000378:metabolism; D001551:Benz(a)Anthracenes / Q000032:analysis*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D008401:Gas Chromatography-Mass Spectrometry; D008862:Microsomes, Liver / Q000378:metabolism
chemical_list: D001551:Benz(a)Anthracenes; D015127:9,10-Dimethyl-1,2-benzanthracene