RESUMO
LC-MS is widely utilized in identifying and tracing plant-derived food varieties but quality control markers screening and accurate identification remain challenging. The adulteration and confusion of Chrysanthemum flowers highlight the need for robust quality control markers. This study established an efficient workflow by integrating UHPLC-Orbitrap-MS/MS with Compound Discoverer and chemometrics. This workflow enabled the systematic screening of 21 markers from 10,540 molecular features, which effectively discriminated Chrysanthemum flowers of different species and cultivars. The workflow incorporated targeted and untargeted methods by employing diagnostic product ions, fragmentation patterns, mzCloud, mzVault, and in-house databases to identify 206 compounds in the flowers, including 17 screened markers. This approach improved identification accuracy by reducing false positives, eliminating in-source fragmentation interference, and incorporating partial verification utilizing our established compound bank. Practically, this workflow can be instrumental in quality control, geolocation determination, and varietal tracing of Chrysanthemum flowers, offering prospective use in other plant-derived foods.
RESUMO
The unripe fruit or peel of Citrus aurantium L., Citrus sinensis Osbeck, and Citrus reticulata Blanco are often disregarded due to perceptions of their marginal value. The present study was undertaken to explore the differences in phytochemical composition and bioactive properties of five citrus by-products in China and demonstrate their potential value. 214 compounds were systematically identified using LC-Orbitrap-MS analysis. Among them, narirutin, naringin, hesperidin, and neohesperidin were established as essential compounds for the discrimination and authentication of the five by-products via a combination of LC-MS, HPLC, and TLC techniques. Variations in the antioxidant activity of the by-products were observed, which correlated with their maturity and were attributable to differences in their active ingredients. Moreover, spectrum-effect relationship analysis revealed that the four previously identified differential markers, along with nobiletin and tangeretin, significantly contributed to the differences in antioxidant activity. The results highlight the potential for citrus by-product enhancement and utilization.
RESUMO
Gentianae Macrophyllae Radix, the dried root of Gentiana macrophylla Pall., Gentiana crassicaulis Duthie ex Burk., Gentiana straminea Maxim., or Gentiana dahurica Fisch., is a traditional Chinese medicine with multi-origins and some adulterants. Liquid chromatography coupled to electrostatic orbitrap high-resolution mass spectrometry (LC-Orbitrap-MS) was used to search the different components of Gentianae Macrophyllae Radix of the four species. High-performance liquid chromatography (HPLC) combined with fingerprint analysis, principal components analysis (PCA), and partial least-squares discrimination analysis (PLS-DA) was also utilized to distinguish them and their adulterants based on the critical components identified by LC-MS. A single standard to determine the multi-components (SSDMC) method was established for the determination of the critical markers. A total of 93 compounds were identified from Gentianae Macrophyllae Radix, including 58 common ones. Their HPLC fingerprints show a significant difference with the adulterants. In addition, PCA and PLS-DA could make a distinction among the four species. Loganic acid, 6'-O-ß-d-glucosylgentiopicroside, swertiamarine, gentiopicroside, and sweroside were identified as the critical markers and then quantified by the SSDMC method. The developed strategy is powerful for the quality control and authentication of Gentianae Macrophyllae Radix.
