A point-of-need framework for illicit drug identification with high-resolution mass spectrometry†

Abstract

The continually evolving drug landscape, with novel synthetic drugs and unique compositions, necessitates the need to advance technologies, data analysis methods, and data accessibility for compound detection and identification. Providing public health, first responder, and law enforcement communities with critical information in near real-time will aid emergency response and public awareness, and direct overdose prevention and interdiction efforts. A major component of this framework is the progression of accurate drug screening and preliminary identifications from a more rigid laboratory-based arrangement to an agile point-of-need paradigm. We investigated drug detection and identification of a field deployable ruggedized high-resolution time-of-flight mass spectrometer, employing both acetone-assisted vacuum ultraviolet (VUV) photoionization and dielectric barrier discharge ionization (DBDI) schemes. This preliminary fit-for-purpose exploration was conducted under laboratory conditions, considering ion sources not reliant on helium gas or external roughing pumps, building toward deployment in a mobile laboratory setting. The chromatography-free measurements enabled rapid analysis of neat drug solutions and multi-component mixtures. Characterization and optimization of system parameters demonstrated sensitive performance, with limits of detection in the tens to hundreds of picograms for a range of drug classes from multiple-component mixtures. The system's high mass resolution was calibrated with a polyethylene glycol calibrant, enabling accurate matching with spectral library entries. Integrating compound identification with the NIST DART-MS Forensics Database and NIST/NIJ DART-MS Data Interpretation Tool provided a solid foundation for transition to the point-of-need. The overarching framework seeks to support technology advancement and adoption, as well as the development of novel data analysis tools, processes, and management for public access and utilization.