Identification of chemical constituents and rat metabolites of Kangxianling granule by HPLC‐Q‐TOF‐MS/MS

Abstract

A high-performance liquid chromatography coupled with quadrupole time-of-flight mass tandem mass spectrometry method was established to characterize the chemical constituents of Kangxianling granule (KXL), a traditional Chinese medicine formula, and the metabolic profile in rat urine and plasma after oral administration of KXL. A total of 27 compounds in KXL extract and 13 prototype compounds with 12 metabolites in rat urine and plasma were identified. Among the 27 detected compounds, 15 were identified by comparing the retention time and MS data with that of reference compounds and the other 12 compounds were tentatively assigned based on the MS data and reference literature. The main prototype components absorbed in rat were amygdalin, salvianolic acid B, tanshinones and anthraquinones. Hydroxylation, glucuronidation and sulfation were the principal metabolic pathways in rat. The results revealed that the 25 compounds identified in rat urine and plasma were the potential active ingredients of KXL, which provides helpful chemical information for further study of the pharmacology mechanism of KXL.

The profiling and identification of chemical components, prototypes and metabolites of Run‐zao‐zhi‐yang capsule in rat plasma, urine and bile by an UPLC‐Q‐TOF/MSE‐based high‐throughput strategy

“…Four of them were consistent with those reported (Song et al, ; Zhang et al, ; Zheng et al, ; Zhu et al, ). M25 gave the parent ion [M − H] − at m/z 285.0403, 16 Da higher than P18 and produced fragment peak at m/z 269.0440 [M − H–OH] − ; it was evaluated as a metabolite of P18 conjugated with a hydroxyl unit (Zheng et al, ). Meanwhile, M23 , M26 , M28 and M29 have the same fragment ion at m/z 285.0403, the same as the quasi‐molecular ion of M25 .…”

Rapid characterization of the absorbed chemical constituents of Tangzhiqing formula following oral administration using UHPLC–Q‐TOF‐MS

“…For example, P47 generated major product ions at m/z 279.1382, which resulted from the elimination of H 2 O from the protonated molecule [M+H] + at m/z 297.1494, followed by the loss of CO to generate m/z 251.1441. Thus, by comparing retention time, molecular weight, and characteristic mass fragments with previous publications , the six diterpenoid quinones were designated as neocryptotanshinone, miltirone, 1,2‐dihydrotanshinquinone, tanshinone I, cryptotanshinone, and tanshinone II A, respectively.…”

“…The ions at m/z 219.0774 were yielded through the loss of CO from the ions at m/z 234.0722. Thus, on the basis of the MS data, M47 and M48 were identified as hydroxyl cryptotanshinone and hydroxyl tanshinone I .…”

Ultrahigh‐performance liquid chromatography coupled with triple quadrupole and time‐of‐flight mass spectrometry for the screening and identification of the main flavonoids and their metabolites in rats after oral administration of Cirsium japonicum DC. extract

“…In recent years, developments in analytical techniques, especially for ultrahigh‐performance liquid chromatography coupled with mass spectrometry (UHPLC/MS), have allowed intensive study of the metabolism of TCMs . The use of UHPLC/MS technology has allowed information to be acquired about chromatography and mass spectra.…”

“…In recent years, developments in analytical techniques, especially for ultrahigh-performance liquid chromatography coupled with mass spectrometry (UHPLC/MS), have allowed intensive study of the metabolism of TCMs. [19][20][21][22] The use of UHPLC/MS technology has allowed information to be acquired about chromatography and mass spectra. A primary advantage of tandem mass spectrometry (MS/MS) is the ability to detect a broad range of drugs with high sensitivity and specificity in a single analytical run.…”