Rapid Identification of Marijuana Using Copper-Phosphine Ion Complexation and Commercialized Paper Spray Ionization Mass Spectrometry

Description

This dataset includes an Excel spreadsheet with the extracted raw data from the Rapid Identification of Marijuana Using Copper-Phosphine Ion Complexation and Commercialized Paper Spray Ionization Mass Spectrometry study that was funded by the National Institute of Justice (Award No. 15PNIJ-24-GG-03858-RESD). The data were derived from the method validation and authentic sample analysis using commercialized paper spray ionization mass spectrometry instrumentation. This data demonstrates the capabilities of copper-phosphine ion complexation to be coupled with commercial paper spray ionization mass spectrometry instrumentation to rapidly identify marijuana from cannabis plant extracts.

Steps to reproduce

[Cu(PPh3)2(ACN)2]BF4 was synthesized and recrystallized following previously established procedures (DOI: 10.1016/j.forc.2026.100750). Before analysis, the VeriSprayTM sample plates were dismantled, and the paper substrates were sonicated in methanol for 30 min and reassembled to reduce background noise. ZeroCTM dried plant matrix served as a representative cannabis matrix for validation studies to mimic typical interferences. Methanolic extracts were prepared based on a previously optimized extraction method (DOI: 10.1016/j.forc.2024.100550), with 100 mg ± 1.0 mg of dried plant material and 5 mL of MeOH added to 50 mL centrifuge tubes, vortexed for 10 s, mechanically shaken for 5 min, and centrifuged for 2 min at 1500 rpm. The supernatant was decanted, and the extraction was repeated with an additional 5 mL of MeOH. The two aliquots were combined, filtered, and diluted 10x with acetonitrile for analysis. For rapid PSI-MS analysis, a Thermo Scientific Quantis Plus triple quadrupole (QqQ) mass spectrometer (Thermo Fisher Scientific, Waltham, MA, USA) was coupled to a VeriSprayTM ionization source. Full scan, product ion scan, and selected reaction monitoring (SRM) methods were employed in this project. The rewetting and spray solvents were composed of 5 µM of [Cu(PPh3)2(ACN)2]BF4 in ACN. A spray voltage of 4,300 V was used for the VeriSprayTM ionization source with the ion transfer temperature set to 325 °C. Full scan acquisition used a scan range of m/z 100-2000 with a 1000 Da/sec scan rate and a 0.7 Da resolution for Q3 (FWHM). Product ion scanning used a scan range of m/z 100-1100 with a 1000 Da/sec scan rate, 0.7 Da resolution for Q1 (FWHM), 1.2 Da resolution for Q3 (FWHM), and a 2 mTorr CID gas pressure with collision-induced dissociation (CID) activation energies of 15 V-65 V. Optimized SRM transitions for ∆9-THC and ∆9-THC-d9 complexes included 25 V and 45 V collision energies for precursor to product ions transitions at m/z 915 -> m/z 653 and m/z 915 -> m/z 391 and m/z 924 -> m/z 662 and m/z 924 -> m/z 400, respectively.

Institutions

• Sam Houston State University

  Texas, Huntsville

Categories

Funders

• National Institute of Justice

  United States Department of Justice

  District of Columbia, Washington

  Grant ID: 15PNIJ-24-GG-03858-RESD

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