Research Institute for Pesticides and Water, University Jaume I, E-12071 Castellón, Spain.
J Agric Food Chem. 2012 May 30;60(21):5311-23. doi: 10.1021/jf300796d. Epub 2012 May 18.
Laboratories devoted to the public health field have to face the analysis of a large number of organic contaminants/residues in many different types of samples. Analytical techniques applied in this field are normally focused on quantification of a limited number of analytes. At present, most of these techniques are based on gas chromatography (GC) or liquid chromatography (LC) coupled to tandem mass spectrometry (MS/MS). Using these techniques only analyte-specific information is acquired, and many other compounds that might be present in the samples would be ignored. In this paper, we explore the potential of time-of-flight (TOF) MS hyphenated to GC or LC to provide additional information, highly useful in this field. Thus, all positives reported by standard reference targeted LC-MS/MS methods were unequivocally confirmed by LC-QTOF MS. Only 61% of positives reported by targeted GC-MS/MS could be confirmed by GC-TOF MS, which was due to its lower sensitivity as nonconfirmations corresponded to analytes that were present at very low concentrations. In addition, the use of TOF MS allowed searching for additional compounds in large-scope screening methodologies. In this way, different contaminants/residues not included in either LC or GC tandem MS analyses were detected. This was the case of the insecticide thiacloprid, the plant growth regulator paclobutrazol, the fungicide prochloraz, or the UV filter benzophenone, among others. Finally, elucidation of unknowns was another of the possibilities offered by TOF MS thanks to the accurate-mass full-acquisition data available when using this technique.
致力于公共卫生领域的实验室必须面对分析大量不同类型样品中的有机污染物/残留。该领域应用的分析技术通常集中于对有限数量的分析物进行定量。目前,这些技术大多基于气相色谱(GC)或液相色谱(LC)与串联质谱(MS/MS)联用。使用这些技术只能获取针对特定分析物的信息,而样品中可能存在的许多其他化合物则会被忽略。在本文中,我们探讨了时间飞行(TOF)MS 与 GC 或 LC 联用提供额外信息的潜力,这在该领域非常有用。因此,通过标准参考靶向 LC-MS/MS 方法报告的所有阳性结果均通过 LC-QTOF MS 得到了明确确认。通过 GC-TOF MS 可以确认靶向 GC-MS/MS 报告的阳性结果仅占 61%,这是由于其灵敏度较低,因为未确认的结果对应于存在浓度非常低的分析物。此外,TOF MS 的使用允许在大规模筛选方法中搜索其他化合物。通过这种方式,检测到了未包含在 LC 或 GC 串联 MS 分析中的不同污染物/残留。这就是杀虫剂噻虫啉、植物生长调节剂多效唑、杀菌剂丙环唑或紫外线滤光剂二苯甲酮等情况。最后,由于在使用该技术时可获得准确质量全采集数据,因此 TOF MS 还提供了一种阐明未知物的可能性。