Agilent Technologies , Wilmington , Delaware 19808 , United States.
Environ Sci Technol. 2018 Mar 6;52(5):2878-2887. doi: 10.1021/acs.est.7b05767. Epub 2018 Feb 13.
Chemical exposure in household dust poses potential risks to human health but has been studied incompletely thus far. Most analytical studies have focused on one or several compound classes, with analysis performed by either liquid or gas chromatography coupled with mass spectrometry (LC-MS or GC-MS). However, a comprehensive investigation of individual dust samples is missing. The present study comprehensively characterizes chemicals in dust by applying a combination of target, suspect, and nontarget screening approaches using both LC and GC with quadrupole time-of-flight (Q/TOF) MS. First, the extraction method was optimized to streamline detection of LC-Q/TOF and GC-Q/TOF amenable compounds and was successfully validated with over 100 target compounds. Nontarget screening with GC-Q/TOF was done by spectral deconvolution followed by a library search. Suspect screening by LC-Q/TOF was carried out with an accurate mass spectral library. Finally, LC-Q/TOF nontarget screening was carried out by extracting molecular features, acquiring tandem mass spectrometric (MS/MS) spectra, and performing compound identification by use of in silico fragmentation software tools. In total, 271 chemicals could be detected in 38 dust samples, 163 of which could be unambiguously confirmed by a reference standard. Many of them, such as the plastic leachable 7,9-di- tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione (CAS 82304-66-3) and three organofluorine compounds, are of emerging concern and their presence in dust has been underestimated. Advantages and drawbacks of the different approaches and analytical instruments are critically discussed.
家庭灰尘中的化学物质暴露对人类健康构成潜在风险,但迄今为止研究还不充分。大多数分析研究都集中在一种或几种化合物类别上,采用液相或气相色谱法与质谱法(LC-MS 或 GC-MS)进行分析。然而,对于个别灰尘样本的综合调查仍然缺乏。本研究通过应用液相和气相色谱与四极杆飞行时间(Q/TOF)质谱联用的目标、可疑和非目标筛选方法,全面描述了灰尘中的化学物质。首先,优化了提取方法,以简化对 LC-Q/TOF 和 GC-Q/TOF 可检测化合物的检测,并成功地用 100 多种目标化合物进行了验证。采用光谱解卷积和库搜索进行 GC-Q/TOF 的非目标筛选。采用精确质量谱库进行 LC-Q/TOF 的可疑筛选。最后,通过提取分子特征、获得串联质谱(MS/MS)谱和使用计算机碎片软件工具进行化合物鉴定,进行 LC-Q/TOF 的非目标筛选。在 38 个灰尘样本中,共检测到 271 种化学物质,其中 163 种可通过参考标准明确确认。其中许多化学物质,如可塑溶性 7,9-二-叔丁基-1-氧杂螺[4.5]癸-6,9-二烯-2,8-二酮(CAS 82304-66-3)和三种有机氟化合物,是新兴的关注点,它们在灰尘中的存在被低估了。对不同方法和分析仪器的优缺点进行了批判性讨论。