The consumption of design drugs, frequently known as new psychoactive substances (NPS), has increased considerably worldwide, becoming a severe issue for the responsible governmental agencies. These illicit substances can be defined as synthetic compounds produced in clandestine laboratories in order to act as analogs of schedule drugs mimetizing its chemical structure and improving its pharmacological effects while hampering the control and making regulation more complicated. In this way, the development of new methodologies for chemical analysis of NPS drugs is indispensable to determine a novel class of drugs arising from the underground market. Therefore, this work shows the use of high‐resolution mass spectrometry Fourier transform ion cyclotron resonance mass spectrometry (FT‐ICR MS) applying different ionization sources such as paper spray ionization (PSI) and electrospray ionization (ESI) in the evaluation of miscellaneous of seized drugs samples as blotter paper (n = 79) and tablet (n = 100). Also, an elucidative analysis was performed by ESI(+)MS/MS experiments, and fragmentation mechanisms were proposed to confirm the chemical structure of compounds identified. Besides, the results of ESI(+) and PSI(+)‐FT‐ICR MS were compared with those of GC–MS, revealing that ESI(+)MS showed greater detection efficiency among the methodologies employed in this study. Moreover, this study stands out as a guide for the chemical analysis of NPS drugs, highlighting the differences between the techniques of ESI(+)‐FT‐ICR MS, PSI(+)‐FT‐ICR MS, and GC–MS.

中文翻译：

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通过ESI（+）和PSI（+）质谱探索设计药物的化学特征-裂解机理和化学计量分析的一种方法。

设计药物（通常被称为新的精神活性物质（NPS））的消费量在全球范围内已大大增加，这成为负责任的政府机构的严重问题。这些非法物质可以定义为在秘密实验室中生产的合成化合物，以用作仿制其化学结构并改善其药理作用的常规药物的类似物，同时妨碍控制并使调节更为复杂。这样，开发新的NPS药物化学分析方法对于确定地下市场中产生的新型药物是必不可少的。因此，n = 79）和平板电脑（n = 100）。此外，通过ESI（+）MS / MS实验进行了说明性分析，并提出了断裂机理以确认鉴定出的化合物的化学结构。此外，将ESI（+）和PSI（+）-FT-ICR MS的结果与GC-MS的结果进行了比较，表明ESI（+）MS在本研究方法中显示出更高的检测效率。此外，本研究突出了NPS药物化学分析的指南，强调了ESI（+）-FT-ICR MS，PSI（+）-FT-ICR MS和GC-MS技术之间的差异。