Comparing Volatile Compounds Among Brands of Argentinian Yerba Mate (Ilex paraguariensis) Using High-resolution GC/Q-TOF

Importance of the Topic

Yerba mate is a widely consumed herbal tea with stimulant and bioactive properties that are influenced by growing conditions and processing steps. Profiling its volatile compounds provides insight into flavor diversity, product quality, and authenticity, which is essential for the food, beverage, and nutraceutical industries.

Study Objectives and Overview

The study aimed to compare the volatile chemical profiles of four Argentinian yerba mate brands using high-resolution gas chromatography–quadrupole time-of-flight mass spectrometry (GC-Q-TOF). A total of 386 compounds were tentatively identified, including 76 not previously reported in yerba mate. Brand-specific signatures were explored through statistical analysis and clustering.

Methodology

The samples were extracted by a QuEChERS protocol and analyzed in triplicate (three to six replicates) on an Agilent 7890 GC coupled to a 7250 Q-TOF MS in full-scan mode. Data processing employed accurate-mass feature finding (SureMass), library matching (NIST17.L and NIST20.L), retention index confirmation, and statistical visualization in Mass Profiler Professional.

Used Instrumentation

• Agilent 7890 Gas Chromatograph with splitless MMI inlet
• HP-5MS UI column, 15 m × 0.25 mm, 0.25 µm
• Agilent 7250 Q-TOF Mass Spectrometer
• Data analysis: MassHunter Quantitative Analysis 10.2, Mass Profiler Professional 15.1

Main Results and Discussion

• Identified chemical classes: phenolic compounds, terpenoids, furanones, pyrazines, aldehydes, fatty acids, PAHs, pyrroles, indoles, xanthines, and others.
• Heatmap visualization highlighted that brands A and C were enriched in phenolics; brands A and D in furanones; brand B in pyrazines.
• Hierarchical clustering of statistically significant features (ANOVA, p<0.01; fold change >2) separated brands based on aldehydes, PAHs, and steroids.
• 76 volatile compounds with library match scores ≥90 were not previously reported in yerba mate, expanding its known aroma profile.

Benefits and Practical Applications

• Quality control and authentication of yerba mate products through chemical fingerprinting.
• Guidance for producers on processing parameters to tailor flavor and bioactive compound content.
• Support for regulatory compliance and detection of adulteration.

Future Trends and Applications

• Integration of high-resolution GC-Q-TOF with sensory analysis and chemometric modeling for predictive flavor profiling.
• Real-time monitoring of volatile release during processing by GC-IMS or ambient ionization MS.
• Expansion of volatile databases for botanicals and herbal teas to improve compound annotation and discovery.

Conclusion

The application of high-resolution GC-Q-TOF enabled a comprehensive volatile profiling of four yerba mate brands, revealing distinct chemical signatures and 76 novel compounds. Statistical and clustering analyses underscored brand differentiation in key aroma-active classes, demonstrating the method’s value for quality assessment and product development.

References

1. Croge A, et al. Yerba mate: cultivation systems, processing and chemical composition. Food Science & Technology. 2020.