New psychoactive substances (NPS), often designed as (legal) substitutes to conventional illicit drugs, are constantly emerging in the drug market and being commercialized in different ways and forms. Their use continues to cause public health problems and is therefore of major concern in many countries. Monitoring NPS use, however, is arduous and different sources of information are required to get more insight of the prevalence and diffusion of NPS use. The determination of NPS in pooled urine and wastewater has shown great potential, adding a different and complementary light on this issue. However, it also presents analytical challenges and limitations that must be taken into account such as the complexity of the matrices, the high sensitivity and selectivity required in the analytical methods as a consequence of the low analyte concentrations as well as the rapid transience of NPS on the drug market creating a scenario with constantly moving analytical targets. Analytical investigation of NPS in pooled urine and wastewater is based on liquid chromatography hyphenated to mass spectrometry and can follow different strategies: target, suspect and non-target analysis. This work aims to discuss the advantages and disadvantages of the different data acquisition workflows and data exploration approaches in mass spectrometry, but also pays attention to new developments such as ion mobility and the use of in-silico prediction tools to improve the identification capabilities in high-complex samples. This tutorial gives an insight into this emerging topic of current concern, and describes the experience gathered within different collaborations and projects supported by key research articles and illustrative practical examples.

中文翻译：

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与测定尿液和废水中的新型精神活性物质相关的前景和挑战——教程

新的精神活性物质 (NPS) 通常被设计为常规非法药物的（合法）替代品，在毒品市场中不断涌现，并以不同的方式和形式进行商业化。它们的使用继续导致公共卫生问题，因此在许多国家引起重大关注。然而，监测 NPS 的使用是一项艰巨的任务，需要不同的信息来源才能更深入地了解 NPS 使用的普遍性和扩散情况。汇集尿液和废水中 NPS 的测定显示出巨大的潜力，为这个问题增加了不同的补充性亮点。然而，它也带来了必须考虑的分析挑战和局限性，例如矩阵的复杂性、由于分析物浓度低以及 NPS 在药物市场上的快速瞬态，分析方法所需的高灵敏度和选择性创造了一个不断变化的分析目标的场景。混合尿液和废水中 NPS 的分析研究基于与质谱联用的液相色谱法，可以遵循不同的策略：目标分析、可疑分析和非目标分析。这项工作旨在讨论质谱中不同数据采集工作流程和数据探索方法的优缺点，同时也关注离子迁移率和使用计算机内预测工具等新发展，以提高高质谱中的识别能力。 - 复杂的样本。本教程深入了解当前关注的这个新兴主题，