PMID- 31952271 OWN - NLM STAT- MEDLINE DCOM- 20201026 LR - 20231113 IS - 1420-3049 (Electronic) IS - 1420-3049 (Linking) VI - 25 IP - 2 DP - 2020 Jan 15 TI - Systematic Detection and Identification of Bioactive Ingredients from Citrus aurantium L. var. amara Using HPLC-Q-TOF-MS Combined with a Screening Method. LID - 10.3390/molecules25020357 [doi] LID - 357 AB - Bitter orange, Citrus aurantium L. var. amara (CAVA), is an important crop and its flowers and fruits are widely used in China as a food spice, as well as in traditional Chinese medicine, due to its health-promoting properties. The secondary metabolites that are present in plant-derived foods or medicines are, in part, responsible for the health benefits and desirable flavor profiles. Nevertheless, detailed information about the bioactive ingredients in CAVA is scarce. Therefore, this study was aimed at exploring the phytochemicals of CAVA by high performance liquid chromatography/quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS). Here, a systematic screening method combined with HPLC-Q-TOF-MS was presented. This technique was used to systematically screen metabolites, primarily from the complex matrix of CAVA, and to identify these compounds by their exact masses, characteristic fragment ions, and fragmentation behaviors. A total of 295 metabolites were screened by the screening method and 89 phytochemicals were identified in the flowers, fruits, roots, leaves, and branches of CAVA. For the first time, 69 phytochemicals (flavonoids, alkaloids, terpenoids, etc.) were reported from CAVA. The results highlight the importance of CAVA as a source of secondary metabolites in the food, medicine, and nutraceutical industries. FAU - Yu, Liuyi AU - Yu L AD - Hunan Key Laboratory of Traditional Chinese Veterinary Medicine & College of Food Science and Technology, Hunan Agricultural University, Changsha, 410128, China. AD - College of Pharmacy, Hunan University of Chinese Medicine, Changsha 410208, China. FAU - Chen, Miaofen AU - Chen M AD - Hunan Key Laboratory of Traditional Chinese Veterinary Medicine & College of Food Science and Technology, Hunan Agricultural University, Changsha, 410128, China. FAU - Liu, Jinghong AU - Liu J AD - Hunan Key Laboratory of Traditional Chinese Veterinary Medicine & College of Food Science and Technology, Hunan Agricultural University, Changsha, 410128, China. FAU - Huang, Xiuqiong AU - Huang X AD - Hunan Key Laboratory of Traditional Chinese Veterinary Medicine & College of Food Science and Technology, Hunan Agricultural University, Changsha, 410128, China. FAU - He, Wei AU - He W AD - Green Melody Bio-engineering Group Company Limited, Changsha 410329, China. FAU - Qing, Zhixing AU - Qing Z AD - Hunan Key Laboratory of Traditional Chinese Veterinary Medicine & College of Food Science and Technology, Hunan Agricultural University, Changsha, 410128, China. FAU - Zeng, Jianguo AU - Zeng J AD - Hunan Key Laboratory of Traditional Chinese Veterinary Medicine & College of Food Science and Technology, Hunan Agricultural University, Changsha, 410128, China. LA - eng PT - Journal Article DEP - 20200115 PL - Switzerland TA - Molecules JT - Molecules (Basel, Switzerland) JID - 100964009 RN - 0 (Flavonoids) RN - 0 (Phytochemicals) RN - 0 (Plant Extracts) SB - IM MH - Chromatography, High Pressure Liquid/*methods MH - Citrus/*metabolism MH - Flavonoids/analysis/*metabolism MH - High-Throughput Screening Assays/*methods MH - Mass Spectrometry/*methods MH - Phytochemicals/analysis/*metabolism MH - Plant Extracts/analysis/*metabolism PMC - PMC7024317 OTO - NOTNLM OT - Citrus aurantium L. var. amara OT - HPLC-Q-TOF-MS OT - alkaloids OT - flavonoids OT - metabolites OT - screening method COIS- The authors declare no conflict of interest. EDAT- 2020/01/19 06:00 MHDA- 2020/10/27 06:00 PMCR- 2020/01/15 CRDT- 2020/01/19 06:00 PHST- 2019/12/05 00:00 [received] PHST- 2020/01/07 00:00 [revised] PHST- 2020/01/10 00:00 [accepted] PHST- 2020/01/19 06:00 [entrez] PHST- 2020/01/19 06:00 [pubmed] PHST- 2020/10/27 06:00 [medline] PHST- 2020/01/15 00:00 [pmc-release] AID - molecules25020357 [pii] AID - molecules-25-00357 [pii] AID - 10.3390/molecules25020357 [doi] PST - epublish SO - Molecules. 2020 Jan 15;25(2):357. doi: 10.3390/molecules25020357.