The key role of mass spectrometry in comprehensive research on new psychoactive substances

Abstract

This month's Special Feature is authored by four accomplished investigators from the Department of Physical and Analytical Chemistry, University Jaume I, Castellón de la Plana, Spain. In their article, Dr. Ibáñez and colleagues direct their attention towards issues relating to new psychoactive substances (NPS), or emerging designer drugs, a heterogeneous group of compounds that aim to mimic the actions of ‘classical’ illicit drugs and circumvent scheduling guidelines. Each year these drugs contribute to a growing number of drug‐related adverse events and deaths. The authors describe their work by way of a three‐step strategy for the analysis of these agents by mass spectrometry: first, detection and analytical characterization of the NPS; second, metabolic and pharmacokinetics studies to select the most suitable biomarkers of their consumption; and third, the detection, identification and quantification of these biomarkers in biological tissues and fluids. They discuss the application of a range of mass spectrometric techniques, including conventional approaches such as combined liquid chromatography‐mass spectrometry, but also the more recent adoption of direct ionization sources for the rapid identification of seized lots of drugs. To illustrate their points this Special Feature focuses on two model psychoactive substances: the synthetic cannabinoid XLR‐11 and the synthetic cathinone 5‐PPDi. Their Special Feature illustrates some of the challenges involved in the analysis of new psychoactive substances and highlights the essential role of mass spectrometry in this important and rapidly evolving area.

Identification of Emerging Novel Psychoactive Substances by Retrospective Analysis of Population-Scale Mass Spectrometry Data Sets

“…High-resolution mass spectrometry (HR-MS) has emerged as one of the primary methods used to detect and identify NPS . Unlike immunochemical approaches, HR-MS can provide component-resolved drug profiles, and unlike nuclear magnetic resonance (NMR) spectroscopy, HR-MS can be applied to detect low-abundance compounds within complex biological mixtures like blood or urine. , Despite these advantages, several factors make screening for NPS by HR-MS a challenging task. Unambiguous identification of an NPS by mass spectrometry requires data from analytical reference materials, acquired contemporaneously on the same instrument.…”