Systematic analysis of chemical profiles of Sophorae tonkinensis Radix et Rhizoma in vitro and in vivo using UPLC‐Q‐TOF‐MS^E

Abstract

Sophorae tonkinensis Radix et Rhizoma (S. tonkinensis) has been recorded as a 'poisonous' Chinese herbal medicine in Chinese Pharmacopoeia 2020. The clinical reaction reports of S. tonkinensis indicated its neurotoxicity; however, there still exists dispute about its toxic substances. At present, no report is available on the blood and brain prototype research of S. tonkinensis. Most studies focused on alkaloids and less on other compounds. Moreover, the constituents absorbed into the blood and brain have been rarely investigated so far. This study established a rapid and efficient qualitative analysis method using UPLC-Q-TOF-MS E to characterize the ingredients of S. tonkinensis and those entering into the rat's body after oral administration. A total of 91 compounds were identified in S. tonkinensis, of which 28 were confirmed by the standards. In addition, 30 and 19 prototypes were also first identified in the rat's blood and brain, respectively. It was found that most flavonoids, except alkaloids, were detected in the rat's body and distributed in the cerebrospinal fluid, suggesting that flavonoids may be one of the important toxic or effective substances of S. tonkinensis. This finding provides new clues and data for clarifying the toxicity or efficacy of this medicinal plant.

Effect of the Harvest Season of Anthyllis henoniana Stems on Antioxidant and Antimicrobial Activities: Phytochemical Profiling of Their Ethyl Acetate Extracts

“…Compound 28 (T R = 30.57 min) showed a molecular ion at m/z 421 and was identified as 6,8-diprenylkaempferol. The MS 2 mode generated the same fragmentation pattern shown in the literature [32].…”

A practical method for rapid discrimination of constituents in Psoraleae Fructus by UPLC‐Q‐Orbitrap MS

“…In this research, 44 flavonoids were distinguished, which can be broadly sorted into flavonoids and chalcones according to the structure of the parent nucleus. The parent nucleus structure of flavonoids is 2‐Phenylchromanone, 36 in which the A ring is connected to the B ring through the C‐1 position of the C ring, and the C ring, which is in the middle of the A and B rings, is unstable due to the force of the A and B rings, and its C‐C bond is easily broken by the Retro‐Diels‐Alder (RDA) reaction, forming a pair of complementary ions A + (or A − in the negative ion mode, containing fragment of the A ring) and B + (or B − in the negative ion mode, containing fragment of the B ring) 37,38 . Flavonoids are prone to create 1,3 A + and 0,2 A + breaks, with a part of precursor ions' C rings rearranging to produce characteristic fragments at m/z 137 and m/z 147, and some losing a molecule of CO to generate benzofuran ring‐like fragments, while chalcones commonly undergo cleavage modes with IB + and IIB + breaks, 39 with the C rings rearranging to produce fragments at m/z147 and m/z149.…”