Comprehensive analytical strategies based on high-resolution time-of-flight mass spectrometry to identify new psychoactive substances

In the past decade, an increasing number of new psychoactive substances (NPSs) were introduced on the drug markets through various modes of distribution, including the and smart shops. Recent reports on their adverse effects produced alarming social concern. Detection of such NPSs is a challenge due to their quick introduction, creating a constantly moving analytical target. Modern analytical chemistry can give a rapid, efficient answer by detecting and identifying the compounds responsible for harmful effects. High-resolution mass spectrometry (HRMS) is a valuable analytical tool, as it provides sensitive, full-spectrum MS data with high mass resolution and mass accuracy. We evaluate different analytical strategies based on time-of-flight MS for screening and identifying NPSs. These strategies include unbiased non-target screening, target screening, and biased non-target screening. We explain and demonstrate these approaches with examples of NPSs investigated in herbal blends, pills, powders, drinkable solutions and truffles.