HighResNPS

HighResNPS facilitates suspect and non-targeted screening of new psychoactive substances using high-resolution mass spectrometry (HR-MS) data.

Key Features:

• Crowd-sourced database: Community-contributed HR-MS entries for new psychoactive substances provided in spreadsheet format.
• Vendor compatibility: Data structured for compatibility with LC-HR-MS instruments and software from Thermo Fisher, Waters, Bruker, and Agilent.
• Diagnostic fragment ion utilization: Leverages user-reported diagnostic fragment ions across vendor platforms to support identification when reference standards are unavailable.
• Multi-vendor validation: Demonstrated by analysis of a sample spiked with 10 NPS across HR-MS platforms from four vendors where all 10 NPS were identified across workflows.

Scientific Applications:

• Suspect screening (LC-HR-MS): Supports suspect screening workflows using LC-HR-MS data to flag candidate NPS.
• Non-targeted identification: Enables identification of NPS in biological samples and seizure analyses without in-house reference standards by using HR-MS entries and diagnostic fragments.
• Forensic and drug monitoring: Facilitates forensic analysis and drug monitoring of emerging new psychoactive substances.

Methodology:

The database is provided as a spreadsheet that can be converted to vendor-specific import formats for LC-HR-MS software.