Comprehensive quality evaluation of different types of Gardeniae Fructus ( Zhizi ) and Shuizhizi based on LC-MS/MS

Gardeniae Fructus ( ) serves as both a medicinal and edible substance and finds widespread use in various industries. There are often two kinds of medicinal materials in the market: and . Typically, with small, round fruit is used for medicinal purposes, while , characterized by large, elongated fruit, is employed for dyeing. Market surveys have revealed a diverse range of types, and modern research indicates that contains rich chemical components and pharmacological activities. In this study, we collected 25 batches of and samples, categorizing them based on appearance into obovate and round fruits, with seven length grades (A-G). Using the ultra-high performance liquid chromatography coupled with triple quadrupole mass spectrometry (UHPLC-QQQ-MS/MS) method, we simultaneously quantified 13 main chemical components in fruits of species. In addition, we compared the weight percentage of the pericarp, flesh, and seeds parts of samples with different traits, and quantified 13 chemical components in different parts. Results indicated that, aside from a few instances of overlapping fruit size ranges, generally exhibits larger and longer dimensions than . The weight proportion of the pericarp is often higher than that of the pericarp. Quantitative results highlighted significant differences in the chemical component content between and , with generally containing higher levels of iridoids. The PCA and OPLS-DA analysis distinctly divided and , among which three iridoids, two organic acids, and one flavonoid made significant contributions to their classification. Cluster heatmap analysis also demonstrated complete separation between and , with clear distinctions among samples from different origins. The distribution of the 13 chemical components in different and parts remained consistent, with iridoids and pigments concentrated in the seeds and flesh, and two organic acids and one flavonoid enriched in the pericarp. In summary, this study contributes valuable insights for classifying and offers guidance on the rational use of and the different parts of .