title: Spectral characterization of two bioaccumulated methoxylated polybrominated diphenyl ethers.
abstract: Two methoxylated polybrominated diphenyl ethers (MeO-PBDEs) were isolated from a True's beaked whale (Mesoplodon mirus) and identified by NMR (1H, 1H-1H and 1H-13C) and high resolution mass spectrometry as 2-(2',4'-dibromophenoxy)-3,5-dibromoanisole (6-MeO-BDE47) and 2-(2',4'-dibromophenoxy)-4,6-dibromoanisole (2'-MeO-BDE68). Previously the structures of these bioaccumulated compounds have been determined by comparison of their mass spectra and gas chromatographic (GC) retention times with those of authentic standards. While this method is accepted and generally successful, NMR of the isolated compounds allows us to definitively identify the congeners. Our characterizations are consistent with those made for MeO-PBDEs in other organisms, identified by chromatographic methods.
authors: Department of Marine Chemistry and Geochemistry, Woods Hole Oceanographic Institution, Woods Hole, MA 02543, USA. eteuten@whoi.edu
authors: Emma L
authors: EL
authors: Teuten
authors: Carl G
authors: CG
authors: Johnson
authors: Manolis
authors: M
authors: Mandalakis
authors: Lillemor
authors: L
authors: Asplund
authors: Orjan
authors: O
authors: Gustafsson
authors: Maria
authors: M
authors: Unger
authors: Göran
authors: G
authors: Marsh
authors: Christopher M
authors: CM
authors: Reddy
mesh_terms: D000273:Adipose Tissue / Q000737:chemistry* / Q000378:metabolism; D000818:Animals; D001711:Biotransformation; D008401:Gas Chromatography-Mass Spectrometry; D009682:Magnetic Resonance Spectroscopy; D010647:Phenyl Ethers / Q000302:isolation & purification* / Q000493:pharmacokinetics; D011075:Polybrominated Biphenyls / Q000302:isolation & purification* / Q000493:pharmacokinetics; D014874:Water Pollutants, Chemical / Q000302:isolation & purification* / Q000493:pharmacokinetics; D014907:Whales / Q000378:metabolism*
chemical_list: D010647:Phenyl Ethers; D011075:Polybrominated Biphenyls; D014874:Water Pollutants, Chemical