MS-FINDER Assisted in Understanding the Profile of Flavonoids in Temporal Dimension during the Fermentation of Pu-erh Tea

Abstract

Flavonoid represents a significant class of secondary metabolites in Pu-erh tea with benefits to human health. For a rapid and complete discovery of such compounds, we established a data mining workflow that integrates software MS-DIAL, MS-FINDER, and molecular networking analysis. As a result, 181 flavonoids were tentatively annotated including 22 first found in Puerh tea, and two of them were potentially new molecules. The dynamic alteration of these flavonoids during Pu-erh fermentation was further investigated. They all showed a trend of first increasing and then decreasing. Moreover, statistical analysis showed that the first to third pile turnings of the fermentation process had a greater impact on the changes of flavonoids. Partial metabolic pathways were proposed. This study provides a quick and automatic strategy for flavonoid profiling. The temporal dimension of flavonoids during fermentation may serve as a theoretical basis for Pu-erh tea manufacturing technology and study on substance foundation.

Effects of Microbial Action and Moist-Heat Action on the Nonvolatile Components of Pu-Erh Tea, as Revealed by Metabolomics

“…3.04 to obtain the MS1 and MS2 feature tables, m / z values, retention time, and relative MS intensity (Tsugawa et al, 2015). MS-DIAL and MS-FINDER are metabolite identification software programs, in which different databases can be incorporated for identifying unknown compounds. ,, The filling rate (filling < 33%, delete), signal-to-noise ratio (<10, delete), and concentration of ions with a relative standard deviation (RSD) of less than 30% in QC sample analyses were used in further multivariate and univariate analyses. Moreover, data preprocessing was performed by fragmenting the data (Tan et al, 2016).…”

Data-Driven Prediction of Molecular Biotransformations in Food Fermentation

“…Under the dual action of microorganisms and thermal degradation, gallic acid is modified via methylation to produce a variety of new flavor components. These methylated components are the key to the “Chen Xiang” flavor of Pu’er tea. , The fermentation process can also degrade the risk components in food (e.g., pesticide residues and natural toxins) and prolong the shelf life . For example, Lactobacillus can inhibit the growth of heterobacteria by producing organic acids and bacteriocin .…”

“…These methylated components are the key to the "Chen Xiang" flavor of Pu'er tea. 6,7 The fermentation process can also degrade the risk components in food (e.g., pesticide residues and natural toxins) and prolong the shelf life. 8 For example, Lactobacillus can inhibit the growth of heterobacteria by producing organic acids and bacteriocin.…”

“…These changes give fermented garlic a unique flavor. Another example is the postfermentation process of Pu’er tea . Under the dual action of microorganisms and thermal degradation, gallic acid is modified via methylation to produce a variety of new flavor components.…”

“…Another example is the postfermentation process of Pu'er tea. 6 Under the dual action of microorganisms and thermal degradation, gallic acid is modified via methylation to produce a variety of new flavor components. These methylated components are the key to the "Chen Xiang" flavor of Pu'er tea.…”