https://scholars.lib.ntu.edu.tw/handle/123456789/586904
標題: | Development of an analytical method to detect simultaneously 219 new psychoactive substances and 65 other substances in urine specimens using LC-QqQ MS/MS with CriticalPairFinder and TransitionFinder | 作者: | Chen, Ju Yu GUAN-YUAN CHEN Wang, San Yuan CHENG-CHUNG FANG LIAN-YU CHEN TE-I WENG |
關鍵字: | CriticalPairFinder | Lc-ms | MRM | New psychoactive substances | TransitionFinder | 公開日期: | 1-二月-2022 | 卷: | 238 | 來源出版物: | Talanta | 摘要: | Emerging new psychoactive substances (NPS) poses a great risk to public health. Analyzing these large numbers of NPS and other associated substances often relies on liquid chromatography coupled to triple quadrupole mass spectrometry (LC-QqQ-MS) with multiple-reaction monitoring (MRM) mode. However, the differentiation of critical pairs, coeluted isobaric and/or isomeric species, is one of the challenges for this analytical platform. MRM transitions with poor selectivity can jeopardize accurate quantification and lead to biased interpretation. Herein, we refined a novel workflow for developing an MRM-based method with in-house CriticalPairFinder and TransitionFinder tools for the effective identification of unique and selective MRM transitions. Transitions selected by TransitionFinder showed much better accuracies than those selected only by fragment abundance in some mixtures of critical pairs. Using the proposed analytical strategy, a method that can simultaneously determine 219 NPS and 65 other substances across a variety of NPS classes in urine samples was developed, validated and applied to analyze clinical urine samples. This automated workflow is anticipated to facilitate method development for analyzing complex analytes while considering selectivity. |
URI: | https://scholars.lib.ntu.edu.tw/handle/123456789/586904 | ISSN: | 00399140 | DOI: | 10.1016/j.talanta.2021.122979 | SDG/關鍵字: | Health risks; Mass spectrometry; Public health; Analytical method; Criticalpairfinder; Lc-ms; LC-QqQ MS; Multiple reaction monitoring; Multiple-reaction monitoring modes; New psychoactive substance; Transitionfinder; Triple-quadrupole mass spectrometry; U |
顯示於: | 法醫學科所 |
在 IR 系統中的文件,除了特別指名其著作權條款之外,均受到著作權保護,並且保留所有的權利。