Developing Cannabis Chemovar Maps Using Comprehensive Two-Dimensional Gas Chromatography with High Performance Time-of-Flight Mass Spectrometry (GCxGC-TOFMS)

Significance of the Topic

Comprehensive analysis of cannabis is crucial due to its complex chemical profile and various therapeutic compounds. Detailed profiling supports accurate potency assessment and ensures quality control and safety in medicinal and industrial applications.

Objectives and Study Overview

This work aims to employ comprehensive two-dimensional gas chromatography coupled with high-performance time-of-flight mass spectrometry to maximize chemical information per run, determine cannabinoid potency, and generate chemovar maps. Novel data processing software is utilized for unambiguous identification and classification of cannabis constituents.

Methodology and Instrumentation

The methodology integrates GCxGC-TOFMS with both untargeted and targeted processing workflows. Two-dimensional separation enhances resolution of coeluting compounds, while deconvolution algorithms extract pure mass spectra. Multivariate analysis, including principal component analysis, facilitates sample differentiation.

Used Instrumentation

• LECO GCxGC system with Quad Jet Thermal Modulator and L-PAL 3 Autosampler
• First dimension column: Rxi-5ms, 30 m × 0.25 mm × 0.25 µm
• Second dimension column: Rxi-17silms, 0.6 m × 0.25 mm × 0.25 µm
• LECO Pegasus BT 4D time-of-flight mass spectrometer (EI, 45–510 m/z)

Main Results and Discussion

GCxGC-TOFMS delivered superior chromatographic resolution and effective removal of interferences. Visual contour plots enabled clear chemovar differentiation. Calibration curves for Δ9-THC and caryophyllene exhibited r2 values above 0.998. Untargeted processing quantified monoterpenes, sesquiterpenes, alkanes, and cannabinoids, while PCA clustered fiber-type and drug-type samples distinctly.

Practical Benefits and Applications

The platform supports high-throughput potency testing, chemovar classification, and quality assurance in both research and industrial laboratories. Its detailed chemical mapping is valuable for regulatory compliance and product standardization.

Future Trends and Applications

• Integration of machine learning for predictive chemovar modeling
• Expansion of spectral libraries to improve compound identification
• Application of GCxGC-TOFMS workflows to other complex botanicals
• Adoption of standardized protocols for regulatory cannabis analysis

Conclusion

Comprehensive two-dimensional GC coupled with TOF mass spectrometry, combined with advanced data processing, provides an effective approach for detailed chemical mapping, potency determination, and classification of cannabis chemovars, supporting quality control and research applications.