Comprehensive analysis of functional ingredients using LC-MS/MS

Significance of topic

Comprehensive profiling of bioactive ingredients in foods supports nutritional research, product development, and public health initiatives. By capturing diverse classes of functional compounds in a single analytical workflow, laboratories can accelerate quality assessment and promote evidence-based dietary recommendations.

Objectives and overview

This study aimed to establish a unified LC-MS/MS platform for semi-quantitative analysis of approximately 300 functional ingredients across five classes: polyphenols, carotenoids, amino acids/di-peptides, primary metabolites, and phospholipids. The method was applied to 32 commonly consumed foods to generate a large-scale dataset for health research under Japan’s SIP2 program.

Methods and instrumentation

Pretreatment involved homogenization, centrifugation, filtration, solvent evaporation, and reconstitution. A triple-quadrupole mass spectrometer (Nexera™ X3 system with LCMS-8060NX) was configured for multiple reaction monitoring. Each compound was characterized by optimized MRM transitions, retention times, and polarity settings. Single-point calibration with internal standards enabled semi-quantitative estimates. Five analytical protocols were developed, covering 147 polyphenols, 23 carotenoids, 62 amino acids/di-peptides, 61 primary metabolites, and 10 phospholipids.

Key results and discussion

The workflow delivered semi-quantitative concentration values (mg/100 g) for all target analytes in 32 foods, including rice, soybean, potato, and leafy vegetables. Representative findings include glucoraphanin levels in broccoli, komatsuna, and onion; β-carotene distribution in Brassica species; and glutamine content in root and leafy produce. The dataset’s breadth is unprecedented, revealing compound-specific patterns among diverse plant matrices.

Benefits and practical applications

• Enables high-throughput profiling of hundreds of bioactive molecules in a unified run.
• Supports nutritional labeling, quality control, and food authentication in research and industry.
• Facilitates establishment of public databases on functional ingredient levels in common foods.

Future trends and potential applications

Advancements may include multi-point calibration for full quantitation, automation of sample prep, expansion to additional compound classes and food matrices, and integration with chemometric or metabolomic data analysis. Such developments will enhance personalized nutrition and precision food science.

Conclusion

The developed LC-MS/MS approach successfully achieved broad semi-quantitative coverage of functional ingredients in a single platform. The large-scale dataset from 32 foods lays the groundwork for further nutritional research, database creation, and health-oriented food development.

Reference

1. Kazuya Katada, Mami Okamoto, Jun Watanabe, Atsuhiko Toyama, Manami Kobayashi, Mari Maeda-Yamamoto. Comprehensive analysis of functional ingredients using LC-MS/MS. Shimadzu Corporation; Self Care Food Council; National Agriculture and Food Research Organization.