Integrative metabolomics-assisted comprehensive components analysis of complex system (CCACS) revealed functional...

Comprehensive chemical profiling is a vital foundation for assessing the exploitation potential of wasted resources generated by food processing. Metabolomics has provided effective solutions in this regard. However, using a single approach leads to incomplete component analysis. Therefore, a Comprehensive Components Analysis of Complex System (CCACS) working conception was proposed herein by leveraging the advantages of untargeted, reverse, and targeted metabolomics technologies. First, untargeted metabolomics enriched the amount and diversity of components in Trichosanthes kirilowii Maxim. fruit, and more importantly, indicated the presence of potentially valuable Amadori compounds. Thereafter, reverse metabolomics strategy unveiled 24 high-abundance and less studied Amadori compounds in T. kirilowii fruit for the first time. Next, to deeply investigate the class of critical substrates of Amadori compounds, a novel derivatization-assisted targeted metabolomics workflow was established to analyze carbohydrates in plant samples. Consequently, 75 monosaccharides and oligosaccharides were first found in T. kirilowii fruit. Overall, the CCACS expanded the quantity and diversity of chemical constituents for further in-depth investigation. Building on this foundation, differential analysis revealed higher contents of components, especially bioactive ones, in pulp and peel than in seed, suggesting the considerable exploitation value of the previously wasted peel and pulp. Besides, most of these components accumulated as the fruit ripened. Notably, some Amadori compounds, carbohydrates, etc. were screened out as potential antioxidants through correlation analysis. Altogether, this study provided a feasible CCACS working conception to allow thorough components profiling, which facilitated evaluating exploitation values of wasted food resources and searching for potential functional substances.