Marvin Chris H, MacInnis Gordia, Alaee Mehran, Arsenault Gilles, Tomy Gregg T
Environment Canada, 867 Lakeshore Road, Burlington, Ontario L7R 4A6 Canada.
Rapid Commun Mass Spectrom. 2007;21(12):1925-30. doi: 10.1002/rcm.3040.
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.
六溴环十二烷（HBCD）是产量最大的脂环族溴化阻燃剂（BFR），它是三种主要非对映异构体（α-、β-和γ-HBCD）的混合物，每种异构体都有一对对应的对映体。我们研究了HBCD对映体的液相色谱/质谱（LC/MS）行为，并证明使用未校正仪器和/或基质效应的数据计算得到的对映体分数（EFs）可能会导致EF值不准确。然而，使用标记替代物可有效校正这些效应。外消旋HBCD标准品的实验表明，色谱因素，包括流动相组成和手性固定相的柱流失，可能是导致HBCD对映体质谱响应变化的原因。
