- 期刊
高解析質譜技術在分析新興濫用藥物的應用與展望
New Psychoactive Substances Analysis With High-Resolution Mass Spectrometry for Application and Prospects
摘要
近年新興濫用藥物（new psychoactive substances, NPS）的種類與日俱增，如何快速正確鑑定未知NPS成為法醫毒理領域的挑戰。高解析質譜技術（high-resolution mass spectrometry, HRMS）於2000年後，因四極桿飛行混成質譜儀（quadrupole/time-of-flight, QTOF）與軌道阱（Orbitrap）兩種質量分析器問世，並於各領域迅速發展，尤其近數年，HRMS應用於法醫毒理領域快速增加。HRMS具有測量精確分子量與迅速掃描等優越能力。相對於低解析質譜儀，HRMS能在不設立特定化合物目標情況下，蒐集大量訊號，得以較完整反映樣本中化學組成，蒐集之數據日後仍可進行回顧性質譜數據查詢（retrospective data interrogation）。換言之，奧運選手的尿液檢驗不僅快且準確，同時留下的分析數據，日後如懷疑某運動員使用當時未知的禁藥，可於先前數據中搜尋使用禁藥的證據。本文以PubMed、Web of Science資料庫與Google Scholar作為文獻蒐集工具，回顧文獻中HRMS分析NPS的趨勢，並依序介紹法醫毒理分析樣本前處理方法、HRMS的興起及常用型式、分離技術與離子化模式，以及數據採集與處理方式。數據採集方面，將介紹全掃描（full scan）、數據依賴擷取（data-dependent acquisition, DDA）、非數據依賴擷取（data-independent acquisition, DIA）與多次串聯質譜（multiple stages of tandem mass spectrometry, MS^n）的優點與限制。此外，HRMS使非標的分析（untargeted analysis）概念開始成形並實現。隨著HRMS日漸成熟普及，預期未來它將在法醫毒理分析領域成為有力的工具。
並列摘要
New psychoactive substances (NPS) are attracting much attention and posing an analytical challenge to researchers in the field of forensic toxicology due to the rapidly increasing number of emerging and unknown NPS. The invention of the hybrid mass analyzers, such as quadrupole/time-of-flight (QTOF) and linear ion trap/Orbitrap, around the year 2000 has brought high-resolution mass spectrometry (HRMS) to various applications including forensic toxicology in recent years. HRMS provides superb mass accuracy as well as fast and complete scanning capability. In contrast to conventional low resolution mass analyzers (LRMS), HRMS can collect a massive number of signals, without pre-setting a limited number of specified compound targets in LRMS, and therefore reflecting much better the chemical composition of the sample. On the other hand, HRMS also enables retrospective data interrogation which means we can collect data now and then query the same dataset in the future. For the urine test of Olympic athletes using HRMS, the tests can be performed rapidly while yielding accurate results. If an athlete is suspected of doping with an unknown drug at the current time, the retained analytical data could be interrogated with new knowledge for the evidence of drug abuse even ten years later. The PubMed, Web of Science database, and Google Scholar were employed to retrieve literature for composing this review article. Various occasions and associated sample preparation procedures of HRMS that apply to forensic toxicological analysis were discussed. Types of HRMS, hyphenated separation techniques, ionization methods, data acquisition modes and processing schemes were discussed as well. The advantages and limitations of full scan, data-dependent acquisition (DDA), data-independent acquisition (DIA) and multiple stages of tandem mass spectrometry (MS^n) were discussed. With HRMS, the abundant analytical information collected from a sample has made the concept of ＂untargeted analysis＂ achievable and practical. It is anticipated that the HRMS would evolve into a powerful tool for forensic toxicology while the technology becomes more mature and popular in the future.
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