title: Factors influencing enantiomeric fractions of hexabromocyclododecane measured using liquid chromatography/tandem mass spectrometry.
abstract: Hexabromocyclododecane (HBCD), the most heavily produced of the cycloaliphatic brominated flame retardants (BFRs), is a mixture of three predominant diastereomers (alpha-, beta-, and gamma-HBCD), each with a corresponding pair of enantiomers. We have investigated the liquid chromatography/mass spectrometry (LC/MS) behaviour of the HBCD enantiomers, and demonstrated that enantiomeric fractions (EFs) calculated using data uncorrected for instrument and/or matrix effects can result in potentially inaccurate EF values. However, use of labelled surrogates effectively corrects for these effects. Experiments with racemic HBCD standards indicate that chromatographic factors, including mobile phase composition and column bleed from chiral stationary phases, may be contributors to variations in the mass spectrometric response of the HBCD enantiomers.
authors.affiliation: Environment Canada, 867 Lakeshore Road, Burlington, Ontario L7R 4A6 Canada. chris.marvin@ec.gc.ca
authors.forename: Chris H
authors.initials: CH
authors.lastname: Marvin
authors.forename: Gordia
authors.initials: G
authors.lastname: MacInnis
authors.forename: Mehran
authors.initials: M
authors.lastname: Alaee
authors.forename: Gilles
authors.initials: G
authors.lastname: Arsenault
authors.forename: Gregg T
authors.initials: GT
authors.lastname: Tomy
mesh_terms: D000818:Animals; D005591:Chemical Fractionation / Q000379:methods; D002851:Chromatography, High Pressure Liquid; D005411:Flame Retardants; D006842:Hydrocarbons, Brominated / Q000032:analysis / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D013237:Stereoisomerism; D053719:Tandem Mass Spectrometry / Q000379:methods*; D014337:Trout / Q000378:metabolism; D014874:Water Pollutants, Chemical / Q000032:analysis / Q000737:chemistry*
chemical_list: D005411:Flame Retardants; D006842:Hydrocarbons, Brominated; D014874:Water Pollutants, Chemical; C089796:hexabromocyclododecane