Targeted and non-targeted screening methods combined with UPLC-QTOF-HRMS were used to systematically analyze and identify the bioactive compounds in different parts (peel, pulp, juice) of six varieties of sour orange fruit. The compounds were identified based on the accurate molecular mass, MS/MS fragment ions and MS/MS fragmentation pattern of each peak, along with database matching, standard comparison and reference. A total of 84 bioactive compounds were identified in sour orange fruits, including 44 flavonoids, 8 phenolic acids, 22 coumarins, 2 limonoids and 8 alkaloids. In which, 35 bioactive compounds were first reported, and could further enrich the database of bioactive compounds in sour orange. Furthermore, 72, 71, 68, 71, 71 and 66 bioactive compounds were identified by screening from Citrus aurantium L. cv. Xiaoye, Citrus aurantium L. cv. Daidai,Citrus aurantium L. cv. Wanmu, Citrus aurantium reuculata blaoco, Citrus aurantium L. cv. Morocco sour orange, Citrus. arrantium L. cv. Huangpi, respectively. The results of cluster analysis showed that the patterns of Daidai sour orange and Benggan sour orang were similar, however, the difference among Xiaoye sour orange, Wanmu sour orange, Morocco sour orange and Huangpi sour orange was relatively large. Additionally, the number of bioactive compounds in different parts was investigated and the results followed the order: peel≥pulp≥juice. This study could provide the experimental basis for quality evaluation and basic research of pharmacodynamic substance, and lay a foundation for the subsequent resource development of sour orange.
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