Investigating Food Quality Evaluation: Complete Analysis of Aroma Compounds and Metabolites in Food

Importance of the Topic

Comprehensive profiling of aroma compounds and metabolites in food matrices such as sake is critical for evaluating product quality, authenticity and flavor attributes. The integration of gas chromatography–mass spectrometry fingerprinting with multivariate analysis provides objective and detailed insights that complement traditional sensory evaluation.

Goals and Study Overview

This study aimed to measure volatile aroma compounds and nonvolatile metabolites in three commercially available sake types (futsu-shu, junmai-shu and daiginjo-shu). By comparing the detected profiles and applying principal component analysis, the authors sought to distinguish among these sake categories and identify characteristic markers.

Methodology

• Aroma compound analysis: Headspace sampling with a trap tube (Tenax GR), using ultrapure water and 3-octanol as an internal standard. Samples were equilibrated with sodium chloride, then injected into a GCMS-TQ8040 for scan acquisition (m/z 35–350).
• Metabolite analysis: Extraction of metabolites from sake with ribitol as an internal standard, derivatization via methoxyamine hydrochloride/pyridine and MSTFA, followed by GC–MS in multiple reaction monitoring mode.

Instrumentation Used

• Shimadzu HS-20 headspace sampler (trap mode, Tenax GR trap tube)
• Shimadzu GCMS-TQ8040 triple quadrupole gas chromatograph–mass spectrometer
• GC columns: HP-INNOWax for volatiles and BPX5 for metabolites

Main Results and Discussion

Volatile profiling identified 78, 76 and 86 aroma compounds in futsu-shu, junmai-shu and daiginjo-shu respectively. PCA score plots achieved clear separation of the three sake types, and loading plots highlighted markers such as ethyl acetate, isobutanol and 3-methylbutyl acetate.
Metabolite profiling detected 147, 140 and 149 compounds in the same samples. PCA also distinguished the three categories, with characteristic metabolites including galactose-5TMS, mannose-meto-5TMS and trehalose-8TMS.

Benefits and Practical Applications

This comprehensive analytical approach enables objective quality classification, authenticity testing and consistency monitoring in sake production. It complements sensory panels and offers reproducible data for process control.

Future Trends and Opportunities

Advances in high-resolution mass spectrometry, expanded metabolite libraries and machine learning–driven data analysis promise enhanced non-targeted profiling. Real-time monitoring and integration into smart manufacturing processes are emerging possibilities.

Conclusion

The combined GC–MS profiling and multivariate analysis method successfully differentiated sake types and identified key aroma and metabolite markers. This strategy enhances routine quality evaluation and supports deeper insights into fermentation-derived compounds.

References

• Mimura N, Isogai A, Iwashita K, Bamba T, Fukusaki E. Gas chromatography/mass spectrometry based component profiling and quality prediction for Japanese sake. J Biosci Bioeng. 2014;118(4):406–414.