UFLC-Q-TOF-MS/MS-Based Screening and Identification of Flavonoids and Derived Metabolites in Human Urine after Oral Administration of Exocarpium Citri Grandis Extract

Abstract

Exocarpium Citri grandis (ECG) is an important Traditional Chinese Medicine (TCM) for the treatment of cough and phlegm, and the flavonoids contained were considered the main effective components. To date, the systematic chemical profiling of these flavonoids and derived in vivo metabolites in human have not been well investigated. ECG was extracted using boiling water and then provided to volunteers for oral administration. Following the ingestion, urine samples were collected from volunteers over 48 h. The extract and urine samples were analyzed using ultra-fast liquid chromatography/quadrupole-time-of-flight tandem mass spectrometry (UFLC-Q-TOF-MS/MS) system to screen and identify flavonoids and derived in vivo metabolites. A total of 18 flavonoids were identified in the ECG extract, and 20 metabolites, mainly glucuronide and sulfate conjugates, were screened in urine samples collected post consumption. The overall excretion of naringenin metabolites corresponded to 5.45% of intake and occurred mainly within 4–12 h after the ingestion. Meanwhile, another 29 phenolic catabolites were detected in urine. Obtained data revealed that flavonoids were abundant in the ECG extract, and these components underwent extensive phase II metabolism in humans. These results provided valuable information for further study of the pharmacology and mechanism of action of ECG.

Chemical Profile, Antioxidative, and Gut Microbiota Modulatory Properties of Ganpu Tea: A Derivative of Pu-erh Tea

“…These flavonoids were mainly derived from GCP, and the corresponding MS/MS fragmentation modes were aligned with our reported results [6]. Flavonoids are an important class of plant secondary metabolites and have been shown to possess multiple biological activities, including antioxidant, anti-inflammatory, and cardioprotective properties [21,22]. In this work, a total of 63 flavonoids-comprising 12 flavonoid-O-glycosides, 7 flavonoid-C-glycosides, 11 flavonoid aglycones, and 33 polymethoxylated flavonoids-were detected in GTE.…”

Characterisation and classification of Citri Reticulatae Pericarpium varieties based on UHPLC‐Q‐TOF‐MS/MS combined with multivariate statistical analyses

“…Unlike flavonoid‐ O ‐glycosides, fragmentations in most flavonoid‐ C ‐glycosides are based on the aglycones of flavones . In the MS/MS spectra, the main product ions of flavone‐ C ‐glycosides were generated by losing water molecule(s) and the glycosidic methylol group as formaldehyde, which generally occur on the glycosyl moiety .…”

Comparison of the bioactive chemical components and antioxidant activities in three tissues of six varieties of Citrus grandis ‘Tomentosa’ fruits

“…[2,3] CGT originated in Huazhou town in Guangdong Province of southern China and is also called Huajuhong in Chinese by locals. [4] CGT received China's GI protection and was officially recorded in the Chinese Pharmacopoeia in 2007. [2] CGT has also been recognized as one of the edible and medical plant resources by the Chinese Ministry of Health.…”