背景:新的精神活性物质(NPS)由于其散发的增殖和在食用时缺乏有关毒性的信息而引起公共卫生关注。除了从法医和毒理学报告中查获的数据,废水分析是NPS监测的补充工具。开发了一种通过简单过滤然后通过液相色谱串联质谱法检测71NPS的方法,以检测由芳基环己基胺组成的多类NPS,设计师苯二氮卓类药物,合成大麻素,合成阿片类药物,苯乙胺,合成卡西酮,色胺,和吲哚生物碱。
结果:在这项工作中,使用分数阶乘设计和面心中心复合材料设计确定并优化了电喷雾电离的影响因素,分别。评估所有化合物在样品清理期间的过滤损失。最终方法经过验证,并应用于2022年在昆士兰州举行的音乐节收集的废水。验证的方法在0.5ngL-1和5000ngL-1之间具有线性,定量限(LOQ)范围从0.6ngL-1到70ngL-1,精度在±20%以内,准确度范围从70%到120%,大多数化合物的基质效应范围从软(0%-20%)到中等(20%-50%)。节日中检测到的NPS是2-氟去氯氧胺,7-羟基mitragynine,mitragynine,N,N-二甲基戊酮,戊酮,phenibut,和O-去甲基曲马多。
结论:使用大型方法的实验设计进行系统的电喷雾电离优化是实用的,并提供了有关所研究化合物的深入化学信息。优化的方法证明了分析从节日中收集的样品在这项工作中的适用性。
BACKGROUND: New psychoactive substances (NPS) are of public health concern due to their sporadic proliferation and the dearth of information on toxicity when consumed. In addition to seized data from forensic and toxicology reporting, wastewater analysis serves as a complimentary tool for NPS surveillance. A method to detect 71 NPS by simple filtration followed by liquid-chromatography tandem mass spectrometry was developed to detect multiclass NPS consisting of arylcyclohexylamines, designer benzodiazepines, synthetic cannabinoids, synthetic opioids, phenethylamines, synthetic cathinones, tryptamines, and indole alkaloids.
RESULTS: In this work, the influential factors for electrospray ionisation were identified and optimised using the fractional factorial design and face-centred central composite design, respectively. The filtration loss during sample clean-up was assessed for all compounds. The final method was validated and applied to wastewater collected from a music festival held in Queensland in 2022. The validated method had linearity between 0.5 ng L-1 and 5000 ng L-1, the limit of quantification (LOQ) ranges from 0.6 ng L-1 to 70 ng L-1, precision within ±20 %, accuracy ranges from 70 % to 120 %, and matrix effect ranges from soft (0 %-20 %) to medium (20 %-50 %) for the majority of the compounds. NPS detected in the festival were 2-fluorodeschloroketamine, 7-hydroxymitragynine, mitragynine, N,N-dimethylpentylone, pentylone, phenibut, and O-desmethyltramadol.
CONCLUSIONS: Systematic electrospray ionisation optimisation using the design of experiment for a large method is practical and provides in-depth chemical information on studied compounds. The optimised method demonstrated the applicability of analysing samples collected from a festival in this work.