DART-MS in-source collision induced dissociation and high mass accuracy for new psychoactive substance determinations

Area of Science:

• Forensic Chemistry
• Analytical Chemistry
• Mass Spectrometry

Background:

• New psychoactive substances (NPS) pose challenges for analytical capabilities of enforcement agencies.
• Cathinone designer drugs are often part of complex mixtures and not included in routine drug screens.
• Conventional mass spectrometry methods can be too harsh for analyzing delicate NPS.

Purpose of the Study:

• To employ Direct Analysis in Real Time mass spectrometry (DART-MS) for rapid screening of cathinone designer drugs.
• To differentiate active cathinone drugs from cutting agents in complex mixtures.
• To develop a method for identifying NPS using accurate mass and isotope abundance calculations.

Main Methods:

• Ambient ionization mass spectrometry, specifically DART-MS, was utilized for sample analysis.
• Accurate mass determinations and isotope abundance calculations were performed.
• A time-of-flight (TOF) mass analyzer combined with in-source collision-induced dissociation (CID) spectra was employed.

Main Results:

• DART-MS successfully screened cathinones, both alone and in mixtures, distinguishing them from cutting agents.
• Accurate mass data provided preliminary identification of mixture components.
• Isotope abundance calculations and TOF-MS/CID data narrowed down possible molecular formulas to a single candidate for cathinones.

Conclusions:

• DART-MS is an effective tool for the rapid presumptive analysis of synthetic cathinones and other NPS.
• The combination of accurate mass, isotope abundance, and TOF-MS/CID provides a robust method for identifying unknown psychoactive substances.
• This approach complements conventional GC-MS analysis for NPS detection and regulation.