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

Importance of the Topic

Food metabolomics via LC-MS/MS allows comprehensive profiling of small molecule changes that underlie quality deterioration in beverages. By moving beyond subjective sensory tests, this method offers precise molecular-level insights into oxidation and degradation processes.

Objectives and Study Overview

This study aims to identify metabolite markers of deterioration in alcoholic drinks under simulated transportation and storage stress. Commercially available sake variants and white wine were subjected to four accelerated aging conditions: refrigerated dark storage, room temperature light exposure, heated storage at 50 C, and agitation at ambient temperature. Changes in hydrophilic metabolites were profiled to pinpoint compounds indicative of quality loss.

Methodology and Used Instrumentation

The protocol combined high performance liquid chromatography with triple quadrupole mass spectrometry for targeted analysis of 97 hydrophilic metabolites. Key features included:

• Instrumentation: Nexera X2 HPLC system coupled to LCMS 8060 mass spectrometer
• Chromatography: reversed phase column, gradient elution with 0.1 percent formic acid in water and acetonitrile, flow rate 0.25 mL per minute
• Mass spectrometry: electrospray ionization in positive and negative mode, multiple reaction monitoring, optimized gas flows for desolvation and ion transmission

Samples were centrifuged at 12000 rpm for five minutes, diluted 100-fold, and analyzed with an ion pairing free method for primary metabolites. Multivariate analysis included principal component analysis and one way analysis of variance on measured metabolite areas.

Main Results and Discussion

PCA did not show clear clustering by storage condition. However, ANOVA revealed significant changes under room temperature light exposure:

• Methionine sulfoxide increased markedly in all drink types, suggesting its potential as a broad oxidation marker
• Uric acid decreased only in sake samples without added sulfite, reflecting its role as a natural antioxidant
• Cysteine decreased significantly in one sake variant, likely linked to production of dimethyl trisulfide and development of off-flavors
• Tryptophan decreased and kynurenine increased in white wine, consistent with activation of the kynurenine pathway under oxidative stress

Benefits and Practical Applications

This targeted metabolomic workflow enables early detection of oxidation and spoilage markers, improving quality control in production and distribution. It supports objective evaluation of storage conditions and additive efficacy, informing process optimization in the beverage industry.

Future Trends and Potential Applications

• Integration with real time monitoring sensors to track quality during transport
• Expansion of metabolite panels to include volatile compounds and sensory related markers
• Application to a wider range of food and beverage matrices for comprehensive shelf life studies
• Development of predictive models linking metabolite profiles to sensory outcomes and consumer acceptance

Conclusion

LC-MS/MS based food metabolomics delivers a powerful platform to uncover molecular indicators of beverage deterioration. Key metabolites such as methionine sulfoxide and tryptophan derivatives emerged as sensitive markers of oxidative stress. Adoption of this approach promises enhanced quality assurance and deeper understanding of spoilage mechanisms.