Identification of chemical components in Baidianling Capsule based on gas chromatography–mass spectrometry and high‐performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry

Abstract

Baidianling Capsule, which is made from 16 Chinese herbs, has been widely used for treating vitiligo clinically. In this study, the sensitive and rapid method has been developed for the analysis of chemical components in Baidianling Capsule by gas chromatography-mass spectrometry in combination with retention indices and high-performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry. Firstly, a total of 110 potential volatile compounds obtained from different extraction procedures including alkanes, alkenes, alkynes, ketones, ethers, aldehydes, alcohols, phenols, organic acids, esters, furans, pyrrole, acid amides, heterocycles, and oxides were detected from Baidianling Capsule by gas chromatography-mass spectrometry, of which 75 were identified by mass spectrometry in combination with the retention index. Then, a total of 124 components were tentatively identified by high-performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry. Fifteen constituents from Baidianling Capsule were accurately identified by comparing the retention times with those of reference compounds, others were identified by comparing the retention times and mass spectrometry data, as well as retrieving the reference literature. This study provides a practical strategy for rapidly screening and identifying the multiple constituents of a complex traditional Chinese medicine.

Metabolic profile of Kudiezi injection in rats by UHPLC coupled with Fourier transform ion cyclotron resonance mass spectrometry

“…According to the previous publications, the major chemical compounds of Kudiezi injection are quite complex, including flavonoids, organic acids, nucleosides, and sesquiterpene lactones [18,19]. Most of the reported chemical compounds of Kudiezi injection were detected by our developed method this time.…”

“…Although the major constituents of Kudiezi injection have been well studied in vitro, however, to the best of our knowledge, the metabolic profile in vivo has not been systematically investigated so far. According to our previous studies, the major organic acidic compounds of Kudiezi injection are simple organic acids and acylated organic acids in vitro [18]. The latter are always metabolized to the former by metabolite reactions such as reduction, hydroxylation, and oxidation.…”

“…All of the other 21 prototype constituents (P1-P10, P12, P13, P16-P18, P22-P26, P29) were found in one or more of the different biological samples. Firstly, by comparing their retention time and UHPLC-FT-ICR-MS data with those of the reference standards, peaks 2, 5,9,11,15,18,20, and 26 were unambiguously identified to 5caffeoylquinic acid (P2), 3-caffeoylquinic acid (P5), chicoric acid (P9), luteolin-7-O-β-D-gentiobioside (P11), luteolin-7-O-β-D-glucuronide (P15), luteolin-7-O-β-D-glucoside (P18), Ixerin Z (P20), and 11,13α-dihydroixerin Z (P26), respectively. Furthermore, by comparison of the obtained UHPLC-FT-ICR-MS data and fragmentation pathways of the rest 21 peaks, these components were tentatively identified and the results are summarized in Table 1.…”

“…Fourier transform ion cyclotron resonance mass spectrometry (FT‐ICR‐MS) represents a powerful tool for the analysis of complex organic mixtures, because it can simultaneously provide accurate mass and significant structural information about minor compounds, especially the unknown compounds in complex mixtures . In our previous report, an UHPLC–FT‐ICR‐MS method was established to study the chemical constituents of Kudiezi injection.…”

Characterization of effective phytochemicals in traditional Chinese medicine by mass spectrometry

“…After GC‐MS analysis, select radar chat to distinguish the difference between the two parts of phytochemicals of the rice bran methanolic extractant. Soxhlet extraction method, soak extraction method, and UAE method were used to extract a variety of phytochemicals in Baidianling Capsule (W. Wu et al, 2017). Different extraction processes were used to extract total 110 kinds of volatile components in commercial available TCM products, and they were identified by GC‐MS with retention index (RI) for confirmation.…”