Identification of chemical constituents in traditional Chinese medicine formula using HPLC coupled with linear ion trap-Orbitrap MS from high doses of medicinal materials to equivalent doses of formula: Study on Xiang-Sha-Liu-Jun-Zi-Jia-Jian granules

Abstract

High-resolution mass spectrometry has been a powerful tool for the research of chemical constituents in traditional Chinese medicine (TCM) formulas. However, the chromatographic peaks were difficult to discriminate clearly in data collection or analysis because of the complexity and the greatly different content of the constituents in TCM formula, which increased the difficulty of identification. In this study, a high-performance liquid chromatography coupled with linear ion trap-Orbitrap mass spectrometry based strategy focused on the comprehensive identification of TCM formula constituents was developed. Identification was carried out from a high dose of medicinal materials to equivalent dose of formula. Meanwhile, combined with mass spectrometry data, chromatographic behaviors, reference standards and previous reports, the identification of constituents in Xiang-Sha-Liu-Jun-Zi-Jia-Jian granules was described. 169 compounds were unambiguously or tentatively characterized, mainly including flavonoids, alkaloids, triterpenic acids, triterpene saponins, lactones, sesquiterpenoids and some other compounds. Among them, 11 compounds were unambiguously confirmed by comparing with reference standards. These results demonstrated that the method was effective and reliable for comprehensive identification of constituents of Xiang-Sha-Liu-Jun-Zi-Jia-Jian granules extracts and reveal the material basis of its therapeutic effects. This strategy might propose a research idea for the characterization of multi-constituents in TCM formula.

Identification and metabolite profiling of alkaloids in aerial parts of Papaver rhoeas by liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry

“…Several previous studies analyzed and separated BIAs using similar analytical techniques as presented here [17][18][19][30][31][32]. The simultaneous analysis of the alkaloids with different skeletons present in the Papaver genus is not a simple task.…”

Identification of a Multicomponent Traditional Herbal Medicine by HPLC–MS and Electron and Light Microscopy

“…As described above, even though massive phenolic acids containing in biosamples, the resolution and elution of each analyte would perform satisfyingly using HPLC–MS. The developed LC–MS methods of XSLJZT in our study were more suitable for analysis because the analysis time was short, and there was clear peak separation, and undisturbed isolation compared with Wang’s study [ 33 ]. This optimized method may provide a standard procedure of quality and quantity control for Chinese herbal commercial manufacturers.…”

Antioxidant activity, α-glucosidase inhibition, and phytochemical fingerprints ofAnoectochilus roxburghiiformula tea residues with HPLC-QTOF-MS/MS

“…Peaks 21, 22, 24, 25, and 26 giving similar λ max at 251–229 nm were proposed as saponin. Peaks 21, 22, and 26 exhibited [M‐H] − ion at 807.4172 (C 42 H 64 O 15 ), 821.3962 (C 42 H 62 O 16 ), and 863.4070 (C 44 H 64 O 17 ) were tentatively identified as Licoricesaponin B2, Uralsaponin B, and 22‐acetoxyl‐glycyrrhaldehyde, respectively, by matching the MS and MS/MS data with METLIN database and reference (Wang et al, ). The possible fragmentation pattern of Uralsaponin B was given in Figure e.…”