Copper Cationization Paper Spray Mass Spectrometry for Cannabinoid Quantitation

2025 research presents a method for differentiating and quantifying trace-level isobaric cannabinoids THC and CBD using copper cationization with paper spray mass spectrometry. The study employed computational chemistry and design of experiment strategies to optimize the analytical technique, achieving detection limits below 2 ng/mL for both cannabinoids in saliva matrices. The dataset supports the findings of the published paper by author Jindar Sboto.

Use Cases

• Analyze the performance of copper cationization for selectivity between [CuCBD]+ and [CuTHC]+ ions to differentiate isobaric cannabinoids.
• Apply design of experiment (DoE) results to optimize paper spray mass spectrometry parameters for quantifying cannabinoids in methanol and saliva matrices.
• Compare detection limits for CBD and THC across different matrices, such as methanol (10-20 ng/mL) versus saliva (<2 ng/mL).
• Evaluate computational chemistry pre-screening data for candidate metal ions used in electrospray ionization high resolution mass spectrometry (ESI-HRMS).

Strengths

• Method achieves high sensitivity with detection limits below 2 ng/mL for THC and CBD in saliva.
• Demonstrates high selectivity with approximately 1% interference between [CuCBD]+ and [CuTHC]+ ions.
• Research integrates two optimization strategies: computational chemistry and design of experiments (DoE).

Limitations

• Dataset scope is confined to the specific analytical method described, limiting generalizability to other cannabinoids or techniques.
• Sample data and raw experimental measurements are not provided, restricting direct computational analysis.
• The dataset is a static research output from a single study without ongoing updates or expansion.

Provenance

Source

Borealis Harvested Dataverse

Collection Method

Experimental data from computational chemistry screening and design of experiment-optimized paper spray mass spectrometry measurements.

Freshness

Last updated in October 2025, indicating recent research.