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首页> 外文期刊>Forensic science international >Tsychotropics caught in a trap' - Adopting a screening approach to specific needs
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Tsychotropics caught in a trap' - Adopting a screening approach to specific needs

机译：致伸缩剂被困在陷阱中”-针对特定需求采用筛选方法

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In the field of forensic toxicology, numerous strategies using different types of LC-MS platforms have been developed to set up an ultimate comprehensive screening method. Despite all this research, the question for the detection of a dedicated set of substances arises quite often in daily routine work. In this project, a screening method for the detection of psychotropic drugs based on the open library concept of a recently developed LC-MS" screening approach was developed and the effectiveness of a heated ESI-source was evaluated.To set up an individual spectral library all available data of psychotropics from the Toxtyper? library was transferred to a new library format and complemented by MS, MS2 and MS3 data of additional psychotropic compounds. Precursor masses and retention time information of the library were used to trigger data dependent acquisition of MSn-spectra. Serum samples were analysed after alkaline liquid-liquid extraction on a Dionex RSLC (Acclaim? C18 100 x 2.1 C) coupled to a Bruker amaZon speed ion trap. A conventional ESI-source and an ionBooster? source (IB) were used for ionization. All other LC and MS parameters were adopted from the original screening approach. Identification and result reporting was carried out by a fully automated software script.This screening method finally contains the individual precursor mass and retention time of 105 psychotropic substances and metabolites. Method evaluation was performed using pooled serum samples fortified with 12 different mixtures containing a total of 99 compounds at low therapeutic concentrations (cLOWand 2 x cLOw)- The customized method (ESI/IB) led to a higher rate of identifications (92%) - especially at low concentration levels (cL0W) - as the comprehensive screening approach (87%). Results from routine analysis with known intake of psychotropic drugs were confirmed with positive findings, if the concentration range was above or around the assumed limit of detection from this evaluation study.The Toxtyper open library concept enables fast and easy generation of new screening methods. The generated screening method is a fast and robust tool for the detection and identification of 105 psychotropics in human serum. Use of the ionBooster source led to a significant increase of the ionization efficiency within this sort of substance class. Evaluation in spiked human serum samples showed detection of low therapeutic levels for the majority of compounds, making the screening applicable for clinical and forensic samples (intoxication and post mortem cases).
机译：在法医毒理学领域，已开发出许多使用不同类型LC-MS平台的策略，以建立最终的全面筛选方法。尽管进行了所有这些研究，但在日常例行工作中经常会出现检测专用物质的问题。在该项目中，开发了一种基于最近开发的LC-MS“筛选方法的开放库概念的用于检测精神药物的筛选方法，并评估了加热的ESI源的有效性。要建立一个单独的光谱库Toxtyper？库中所有可用的精神药物数据均已转换为新的库格式，并补充了其他精神药物的MS，MS2和MS3数据，并使用该库的前体质量和保留时间信息来触发数据相关的MSn-碱性液-液萃取后，在结合了Bruker amaZon速度离子阱的Dionex RSLC（Acclaim？C18 100 x 2.1 C）上分析血清样品，使用常规ESI源和ionBooster？源（IB）电离：所有其他LC和MS参数均采用原始筛选方法，鉴定和结果报告通过全自动软件脚本执行。增强方法最终包含105种精神药物和代谢物的单个前体质量和保留时间。使用混合了12种不同混合物的血清样品进行方法评估，这些混合物包含低治疗浓度（cLOW和2 x cLOw）的总共99种化合物-定制方法（ESI / IB）导致较高的鉴定率（92％）-特别是在低浓度（cL0W）时-作为全面筛选方法（87％）。如果该评估研究的浓度范围高于或接近假定的检测极限，则通过常规分析并已知服用精神药物的结果得到肯定的证实。生成的筛选方法是一种用于检测和鉴定人血清中105种精神药物的快速而强大的工具。在此类物质类别中，使用ionBooster源可显着提高电离效率。对加标的人血清样品的评估显示，对于大多数化合物，检测到的治疗水平较低，这使得该筛查适用于临床和法医样品（中毒和验尸）。

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