Food Metabolomics Analysis of Deterioration Characteristics of Alcoholic Drinks Using LC/MS/MS

Significance of the Topic

Food metabolomics enables comprehensive profiling of small molecules in food products, offering a scientific complement to traditional sensory evaluation. This approach supports objective quality assessment, identification of functional components, and improved control over product stability during distribution and storage.

Study Objectives and Overview

The study investigated deterioration markers in commercial Japanese sake and white wine subjected to simulated transport and storage stresses. Four conditions were tested: refrigerated storage in the dark, room-temperature light exposure, heating at 50 C after refrigeration, and mechanical shaking after refrigeration. Metabolite changes were analyzed to identify indicators of oxidative damage and quality loss.

Methodology and Instrumentation

After centrifugation and 100-fold dilution, samples were analyzed by LC/MS/MS using a Nexera X2 UHPLC system coupled to an LCMS-8060 triple quadrupole mass spectrometer. Separation employed a reversed-phase column with gradient elution of 0.1% formic acid in water and acetonitrile. Detection was performed under positive and negative electrospray ionization in multiple reaction monitoring (MRM) mode. Data processing included principal component analysis (PCA) and one-way ANOVA via Traverse MS software.

Main Results and Discussion

PCA showed no distinct clustering by storage condition, but ANOVA identified significant metabolite shifts under room-temperature light exposure:

• Increased methionine sulfoxide in all beverages, reflecting oxidative conversion of methionine residues.
• Decreased uric acid in sake samples, indicating its role as a consumed antioxidant; wine samples were protected by added sulfite.
• Reduced cysteine in one sake type, potentially linked to elevated formation of dimethyl trisulfide, a malodorous compound.
• Altered tryptophan and kynurenine levels in white wine, consistent with activation of the kynurenine pathway under oxidative stress.

Benefits and Practical Applications

The LC/MS/MS-based workflow offers sensitive detection of early biochemical changes preceding sensory deterioration. Identified markers such as methionine sulfoxide and cysteine depletion can serve as rapid quality indicators to optimize storage and transport protocols.

Future Trends and Potential Applications

Advances in automation and machine learning will enable predictive modeling of shelf-life based on metabolomic profiles. Expanding analyses to diverse beverages and integrating portable LC/MS platforms could facilitate real-time quality monitoring across supply chains.

Conclusion

Comprehensive food metabolomics using LC/MS/MS effectively uncovers subtle oxidative markers of alcoholic beverage deterioration. Light exposure at ambient temperature emerged as a key stressor, and specific metabolite changes provide actionable insights for quality assurance.

Reference