A four‐step filtering strategy based on ultra‐high‐performance liquid chromatography coupled to quadrupole‐time‐of‐flight tandem mass spectrometry for comprehensive profiling the major chemical constituents of Akebiae Fructus

Abstract

Rationale Akebiae Fructus (AF) is a traditional Chinese medicine (TCM) with antiphlogistic, analgesic, antineoplastic, diuretic, antirheumatic, antidepressant and antiobesity activities. Identification of chemical constituents from AF is helpful to discover the potential active ingredients and to control its quality. Methods The four‐step filtering strategy was as follows: (1) To extract the accurate mass by the different adduct ions. (2) To screen different types of the compounds using diagnostic ions. (3) By characteristic ion filtering, to confirm the substituted position and the sugar chain numbers. (4) Based on the neutral loss (NL), to identify the type of monosaccharide and the compositions of sugar chains of triterpenoid saponins and the structure of CGAs. Results A total of 94 compounds (85 triterpenoid saponins, 9 chlorogenic acids) were unambiguously or reasonably identified. Fifty constituents were discovered for the first time from AF. Nine types of triterpenoid saponins, including akebonoic acid (type I), norhederagenin (type II), oleanolic acid (type III), 2α,3β‐dihydroxy‐23‐oxo‐30‐norolean‐12,20(21)‐dien‐28‐oic acid (type IV), gypsogenin (type V), norarjunolic acid (type VI), hederagenin (type VII), 2α,3β‐dihydroxy‐23‐oxo‐olean‐12‐en‐28‐oic acid (type VIII), arjunolic acid (type IX), and two types of chlorogenic acid (mono‐CQA and di‐CQA), were identified in AF. Conclusions An ultra‐high‐performance liquid chromatography coupled to quadrupole‐time‐of‐flight tandem mass spectrometry with MSE (UPLC–QTOF‐MSE) analysis with four‐step filtering strategy was established and successfully applied to identify the chemical constituents of AF which can provide chemical support for further research and play an important role in the quality control of AF.

Structural characterization and discrimination of Paris polyphylla var. yunnanensis by a molecular networking strategy coupled with ultra‐high‐performance liquid chromatography with quadrupole time‐of‐flight mass spectrometry

“…Because of the complexity of these components, their comprehensive analysis was extremely difficult. Since the mid‐2000s, because of its high separation resolution, enhanced separation speed, unmatched sensitivity, and minimal sample preparation, liquid chromatography/mass spectrometry (LC/MS) has been increasingly used in natural products research . In addition, the low sample quantity requirement makes LC/MS even more attractive to TCM scientists.…”

Establishing a rapid classification and identification method for the major triterpenoids of Alisma orientale

“…NL means that the compounds of the same or similar structure lose the same neutral fragment under the same mass conditions. NLs are essential for screening substances . The combination of CF and NLs can achieve the efficient screening of chemical components in TCMs.…”

“…NLs are essential for screening substances. [14][15][16] The combination of CF and NLs can achieve the efficient screening of chemical components in TCMs.…”

Fast‐switching high‐voltage porous‐tip electrospray ionization mass spectrometry for rapid detection of antirheumatic drugs in adulterated herbal dietary supplements

“…Rheumatoid arthritis (RA) is a chronic autoimmune and inflammatory disease that can cause pain, disability and premature death. It is reported that RA could be treated and controlled effectively using antirheumatic HDSs . With the growing interest in the development of antirheumatic HDSs, the quality control of these drugs is a challenging task, especially detection of synthetic antirheumatic drugs in HDSs …”

“…It is reported that RA could be treated and controlled effectively using antirheumatic HDSs. [4][5][6] With the growing interest in the development of antirheumatic HDSs, the quality control of these drugs is a challenging task, especially detection of synthetic antirheumatic drugs in HDSs. 1,4 Various analytical techniques based on chromatography, spectroscopy, bioassays, mass spectrometry, capillary electrophoresis, and other successful methods have been used for determination of synthetic drugs in adulterated HDSs.…”