title: Determination and mass spectrometric investigation of a new mixed halogenated persistent component in fish and seal.
abstract: An unknown component that caused an intense signal in sample extracts of fish tissue was enriched and investigated using a variety of mass spectrometric techniques coupled to gas chromatographic separation. With the help of electron capture negative ion mass spectrometry (ECNI-MS) and electron impact mass spectrometry (EI-MS) it was established that the component carries 2Br and 3Cl atoms and forms a molecular ion at m/z 396. A concentrated solution of this mixed halogenated compound (MHC-1) was investigated by gas chromatography interfaced to electron impact high-resolution mass spectrometry (GC/EI-HRMS). Using full scan and SIM techniques, the molecular formula of MHC-1 was established to be C10H13Br2Cl3. This points toward MHC-1 having a monoterpene backbone. No chemical with this molecular formula has been synthesized, but two components with this composition have been earlier isolated from marine algae.
authors.affiliation: Department of Food Chemistry, Friedrich-Schiller-University Jena, Germany. b5wave@rz.uni-jena.de
authors.forename: W
authors.initials: W
authors.lastname: Vetter
authors.forename: J
authors.initials: J
authors.lastname: Hiebl
authors.forename: N J
authors.initials: NJ
authors.lastname: Oldham
mesh_terms: D000475:Alkenes / Q000032:analysis* / Q000737:chemistry; D000818:Animals; D017605:Bromine Compounds / Q000032:analysis* / Q000737:chemistry; D017606:Chlorine Compounds / Q000032:analysis* / Q000737:chemistry; D003510:Cyclohexanes / Q000032:analysis* / Q000737:chemistry; D004347:Drug Interactions; D005399:Fishes / Q000378:metabolism*; D008401:Gas Chromatography-Mass Spectrometry; D015394:Molecular Structure; D046048:Seals, Earless / Q000378:metabolism*; D021241:Spectrometry, Mass, Electrospray Ionization; D014753:Vinyl Compounds / Q000032:analysis* / Q000737:chemistry; D014874:Water Pollutants, Chemical / Q000032:analysis*; D014876:Water Pollution / Q000032:analysis
chemical_list: C451679:1,2,4,5-4-bromo-5-bromomethyl-1-(E)-chlorovinyl-2,5-dichloromethylcyclohexane; C451680:1,8-dibromo-3,4,7-trichloro-3,7-dimethyl-1,5-octadiene; D000475:Alkenes; D017605:Bromine Compounds; D017606:Chlorine Compounds; D003510:Cyclohexanes; D014753:Vinyl Compounds; D014874:Water Pollutants, Chemical