Food Metabolomics of Alcoholic Beverage Using Single-Quadrupole Mass Spectrometer — Oligosaccharide and Polysaccharide Profiling —

Importance of the Topic

Food metabolomics plays a critical role in food science by connecting metabolite profiles to quality, flavor and functional properties of ingredients and finished products. Profiling carbohydrates such as oligosaccharides and polysaccharides provides insight into fermentation processes, raw materials and production methods and supports quality control and product development.

Objectives and Study Overview

This study demonstrates the use of a single quadrupole LCMS system to perform a comprehensive profiling of oligosaccharide and polysaccharide content in various beers and non alcoholic beer samples. It aims to evaluate system sensitivity, detection range and sample differentiation through multivariate analysis.

Methodology and Instrumentation

Samples of six beer types including lager, ale, low malt, new genre and two non alcoholic beers were diluted and analyzed using a Nexera XR HPLC coupled to an LCMS 2050 single quadrupole mass spectrometer with a heated DUIS dual ion source operating in negative ion SIM mode over m/z 2 to 2000.

• HPLC: Shodex Asahipak NH2P-40 3E column, 250 mm × 3.0 mm I.D., 4.0 µm, 0.3 mL/min, 40 °C
• Mobile phases: ammonium bicarbonate aqueous solutions with acetonitrile gradient
• MS: ESI/APCI dual ionization, SIM mode (40 events), optimized gas flows and temperatures
• Detection range up to m/z 2000 for oligo and polysaccharide profiling

Main Results and Discussion

Standard analysis confirmed detection of maltooligosaccharides DP1 to DP10 and polysaccharides up to DP24 with excellent linearity (r2 ≥ 0.995) and sub nanogram sensitivity. Beer samples yielded up to DP36 polymers. Principal component analysis separated samples according to malt content and fermentation style. Heat map visualization highlighted relative abundances of each DP across samples, revealing unconverted glucose and maltose in non alcoholic beer processed to limit fermentation.

Benefits and Practical Applications

• Sub nanogram sensitivity for carbohydrate polymers
• Wide mass range allows detection of large oligo and polysaccharides
• Cost effective and user friendly compared to triple quadrupole systems
• Integration with multivariate analysis tools enables efficient sample classification and quality monitoring

Future Trends and Opportunities

Adoption of single quadrupole LCMS in food metabolomics is expected to expand applications in quality control, authenticity testing and process optimization. Combining comprehensive carbohydrate profiling with other metabolomic targets and data visualization tools will support deeper insights into food composition and production.

Conclusion

The study demonstrates that single quadrupole LCMS platforms can deliver detailed and sensitive profiling of oligosaccharides and polysaccharides in complex beverage matrices. When combined with targeted analyses and advanced software, this approach supports robust food quality assessment and innovation in analytical workflows.

Reference

• Shimadzu Application News 01-00420-EN, First Edition: August 2022