CSC: A Virtual Liquid Chromatography Method Development Tool for Cannabinoid Analysis

Significance of the Topic

As cannabis regulation expands globally, reliable and efficient potency testing becomes critical for product safety, quality control, and compliance. Traditional liquid chromatography method development is labor­-intensive and costly, driving demand for virtual tools that optimize separations without tying up instruments or resources.

Study Objectives and Overview

This work introduces a no­-cost, instrument­-free software tool for virtual liquid chromatography (LC) method development targeting cannabinoids. The primary goals were to build a reliable retention time model, create a cannabinoid LC­-UV library, and demonstrate model accuracy under varied conditions.

Methodology and Instrumentation

The study built a base library of 16 cannabinoids on a 150 mm × 3.0 mm, 2.7 µm Raptor ARC­-18 column. Lot checks on three column lots ensured consistency. Retention times were collected under multiple isocratic conditions, temperatures, and buffer strengths. A virtual modeler predicted retention times by adjusting parameters such as temperature, gradient, and mobile phase composition. Verification runs used a different column dimension (150 mm × 4.6 mm ID, 2.7 µm) at varied flow rate and temperature.

Instrument Used

• Column: Raptor ARC-18, 150 × 4.6 mm ID, 2.7 µm
• Detector: UV–vis at 228 nm
• Mobile phases: A—water with 5 mM ammonium formate and 0.1% formic acid; B—acetonitrile with 0.1% formic acid
• Flow rate: 0.8 mL/min
• Injection volume: 5 µL; sample concentration: 100 µg/mL

Main Results and Discussion

Model predictions matched experimental retention times within ±10% of total run time, with most differences under 7 seconds. Lot check variability remained below ±5%. The tool successfully repositioned critical cannabinoid pairs while preserving resolution.

Benefits and Practical Applications

• Eliminates instrument downtime during method scouting
• Reduces labor and consumable costs
• Accelerates method development for novice and expert users
• Supports column­-to­-column and instrument platform normalization

Future Trends and Potential Applications

Ongoing verification includes UV­-vis sustainability testing, additional column dimensions, and expanded cannabinoid libraries. Prospective enhancements may integrate mass spectrometry prediction and automated buffer optimization.

Conclusion

The virtual LC method development tool offers a consultative, on­-demand solution for rapid, low­-cost cannabinoid method optimization. By offloading experimental work to software, laboratories can improve turnaround times, data quality, and profitability without sacrificing instrument availability.