Rapid characterization of the chemical constituents and rat metabolites of the Wen‐Jing decoction by ultra high performance liquid chromatography coupled with electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry

Abstract

The Wen‐Jing decoction, a traditional Chinese medicine formula, has been used as a blood‐activating and stasis‐eliminating drug to treat gynaecological syndromes, such as dysmenorrhea, amenorrhea, and menstrual disorders. However, its pharmacodynamic material basis and mechanism of action have not been thoroughly elucidated to date. The goal of this study was to characterize and identify multiple constituents and metabolites in Wen‐Jing decoction. An ultra high performance liquid chromatography coupled with electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry method was established and validated in the present study for the first time. A total of 101 compounds, including 11 monoterpene glycosides, 19 flavonoids, 49 triterpene saponins, 5 phthalides, 3 phytoecdysones, and 14 others, were unambiguously or tentatively characterized by comparing their retention times and MS data with reference standards or with data reported in the literature. After oral administration of Wen‐Jing decoction, 27 compounds, including nine prototype compounds and 18 metabolites were detected in rat plasma. Thus, the ultra high performance liquid chromatography coupled with electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry method was found to be efficient for in‐depth structural elucidation of chemical compounds in complex matrices of herbal medicines, which will provide useful chemical information for quality control and mechanism‐of‐action research.

Clinical Observation on the Improvement of Serum Sex Hormone and Ovarian Function in Premature Ovarian Failure Patients with Deficiency-Cold Syndrome by Combining Wenjing Decoction with Tiaobu Chongren Acupuncture and Moxibustion

“…On analyzing the reasons for the above results, in the prescription, the evodia, cassia twig, and ginger are used to warm the meridians and disperse cold, warm the palace, and relieve pain; white peony, angelica, and chuanxiong can tonify blood, regulate blood, nourish Yin, and regulate liver, being compatible with licorice, easing and relieving pain; donkey-hide gelatin, Ophiopogon japonicus , Pinellia , and ginseng can nourish Yin and replenish qi, with peony bark to clear heat and remove steam, promote blood circulation, and remove blood stasis; it is especially beneficial to menopausal syndrome and other syndromes of Yin deficiency and dry heat [ 18 ]. All the above traditional Chinese medicines combined together are warming, clearing, eliminating, and replenishing, and modern studies have confirmed that it can effectively reduce lipid peroxide deposition in the body, reduce oxidative damage, and improve ovarian function [ 19 ]. In this study, the Tiaobu Chongren acupuncture and moxibustion method, acupuncturing the Qihai, Guanyuan, Zhongji, Mingmen, and Yaoyangguan of the Ren and Du Meridians can complement the vigour and strengthen the kidney and regulate the Chong and Ren; in addition, taking Ren meridian point before ovulation can promote follicle maturation, and taking Du meridian point after ovulation can inhibit the premature apoptosis of ovarian granulocyte cells.…”

Identification of the major metabolites of (R)‐salbutamol in human urine, plasma and feces using ultra high performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry

“…A highly sensitive analytical method is important for the identification of metabolites, especially when some metabolites have low concentrations. At present, UHPLC/Q‐TOF‐MS is a powerful tool for the study of drug metabolism due to its advantages of rapid separation, high resolution, and superior sensitivity . Q‐TOF‐MS with an automated MS E mode and software Metabolynx TM could record exact mass data for every detectable compound and its sub‐structure fragment ion information from complex samples in a single analysis, which is a reliable tool for the rapid discovery and identification of drug metabolites .…”

Comprehensive characterization and identification of chemical constituents in Yangwei decoction using ultra high performance liquid chromatography coupled with electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry

“…For triterpenoids, the cleavage at the glycosidic bonds was the fragmentation pattern and produced representative fragments with the loss of glucose (Glc, 162 Da), rhamnose (Rha, 146 Da), xylose (Xyl, 132 Da), and/or arabinose (Ara, 132 Da). However, these substances were prone to lose H Based on the cleavage rule of reference standards and information from related literature [2,[30][31][32][33][34][35][36], the triterpenoids could eliminate the neutral fragments such as Glc (162 Da), Rha (146 Da), Xyl (132 Da), Ara (132 Da), GlcA (176 Da), H 2 O (18 Da), CO2 (44 Da), HCOOH (46 Da), and/or the combination of these fragments. The characterization of triterpenoids in YWD was concluded by referring to these fragmentation mechanisms, and tentatively identified in YWD were a total of 59 triterpenoids, including 22 ginsenosides (labeled as P87, P89, P94-P96, P115, P122, P127-P128, P131, P136, P139, P145, P149-P151, P156, P182, P188, P192-P193, P208), 22 triterpene saponins (labeled as P181, P187, P203, P206, P209, P212-P213, P215, P217-P222, P224) and 15 triterpene acids (labeled as P103, P107-P110, P114, P116, P119, P135, P137, P140-P141, P146-P147, P152, P157-P158, P163, P170, P172, P180, P184) (Table S3).…”

“…Classical traditional Chinese medicine has been widely used in China for thousands of years and has played a significant role in preventing and treating numerous diseases, proved by clinical observation, historical therapeutic practice, and basic experimental studies [1][2][3][4].…”