A sensitive method for the qualitative screening of synthetic cannabinoids and opioids in whole blood was developed and validated using alkaline liquid-liquid extraction (LLE) and liquid chromatography – time-of-flight mass spectrometry (LC-QTOF-MS). Estimated limits of detection for validated compounds ranged from 0.03-0.29 µg/L (median, 0.04 µg/L) for the 27 opioids and from 0.04-0.5 µg/L (median, 0.07 µg/L) for the 23 synthetic cannabinoids. Data processing occurred in two stages; first a targeted screen was performed using an in-house database containing retention times, accurate masses and MS/MS spectra for 79 cannabinoids and 53 opioids. Suspect screening was then performed using a database downloaded from the crowd sourced NPS data website HighResNPS.com which contains mass, consensus MS/MS data and laboratory-specific predicted retention times for a far greater number of compounds. The method was applied to 61 forensic cases where synthetic cannabinoid or opioid screening was requested by the client or their use was suspected due to case information. CUMYL-PEGACLONE was detected in two cases and etodesnitazine, 5F-MDMB-PICA, 4-cyano-CUMYL-BUTINACA and carfentanil were detected in one case each. These compounds were within the targeted scope of the method but were also detected through the suspect screening workflow. The method forms a solid base for expansion as more compounds emerge onto the illicit drug market.

中文翻译：

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一种通过 LC-QTOF-MS 对全血中合成大麻素和阿片类药物进行灵敏靶向筛查的方法，同时使用 HighResNPS.com 进行可疑筛查

使用碱性液液萃取 (LLE) 和液相色谱 - 飞行时间质谱 (LC-QTOF-MS) 开发并验证了一种定性筛查全血中合成大麻素和阿片类药物的灵敏方法。经验证化合物的 27 种阿片类药物的估计检测限为 0.03-0.29 µg/L（中位数为 0.04 µg/L），23 种合成大麻素的估计检测限为 0.04-0.5 µg/L（中位数为 0.07 µg/L）。数据处理分两个阶段进行；首先，使用包含 79 种大麻素和 53 种阿片类药物的保留时间、精确质量和 MS/MS 谱图的内部数据库进行了针对性筛选。然后使用从众包 NPS 数据网站 HighResNPS.com 下载的数据库进行可疑筛查，该数据库包含大量化合物的质量、一致 MS/MS 数据和实验室特定的预测保留时间。该方法适用于 61 起法医案件，其中客户要求进行合成大麻素或阿片类药物筛查，或者根据案件信息怀疑其使用。检出 2 例为 CUMYL-PEGACLONE，检出依托地硝嗪、5F-MDMB-PICA、4-cyano-CUMYL-BUTINACA、卡芬太尼各 1 例。这些化合物在该方法的目标范围内，但也通过可疑筛选工作流程检测到。随着越来越多的化合物出现在非法药物市场上，该方法为扩展奠定了坚实的基础。