Selective ion monitoring of quinochalcone C -glycoside markers for the simultaneous identification of Carthamus tinctorius L. in eleven Chinese patent medicines by UHPLC/QTOF MS

Chemical profiling and quantification of ShenKang injection, a systematic quality control strategy using ultra high performance liquid chromatography with Q Exactive hybrid quadrupole orbitrap high‐resolution accurate mass spectrometry

“…The ESI‐MS signal at m/z 613.15582 ([M–H] − ) and 613.15588 ([M–H] − ) in negative ion mode were produced by isosafflomin C ( 49 ) and safflomin C ( 52 ) respectively according to the retention time compared with the literature . In both of MS 2 spectra, neutral elimination of a H 2 O residue produced the ion at m/z 595 ([M–H–18] − , C 30 H 27 O 13 ).…”

“…The fragmentation of these compounds in MS 2 spectra resulted in [M–H–162] – at m/z 285.04. The neutral loss of 162 Da was the characteristic fragmentation of a glucose or a galactose for an O ‐glycoside . Compounds 18 , 24 and 32 all produced the fragmentation m/z 301.03 ([M–H] − ) which was the 6‐hydroxykaempferol residue.…”

Quality transitivity of Danhong Huayu Koufuye: A study on chemical profiles of medicinal herbs, compound preparation and dosed rat plasma using ultra‐performance liquid chromatography–quadrupole time‐of‐flight mass spectrometry

“…Applying the optimized LC–MS conditions, samples of the seven medicinal herbs were analyzed and typical base peak ion chromatograms are shown in Figure S1. Comparing the MS spectra with standards and literature data (Chen et al, ; Chen, Qi, Chang, Zhu, & Yu, ; Hong, Wang, Xu, Li, & Li, ; Liang et al, ; Liu et al, ; Ma et al, ; Si et al, ; Yang et al, ; Yang, Wu, Rui, Guo, & Feng, ; Yi, Leung, Lu, Chan, & Zhang, ), a total of 134 chemical constituents were identified in the seven medicinal herbs, and their information is summarized in Tables S1–S7. Among these, 31 compounds in Salviae Miltiorrhizae were mainly salvianolic acids and diterpene quinones, 16 compounds in Radix Angelica Sinensis and 26 compounds in Rhizoma Chuanxiong were mostly phenolic acids and phthalides, three compounds in Semen Persicae were mainly cyanogenic glycosides, 16 compounds in Flos Carthami and 18 compounds in Fructus Aurantii were largely flavonoids, and 24 compounds in Radix Bupleuri were mostly triterpenoid saponins.…”

Approaches to establish Q-markers for the quality standards of traditional Chinese medicines

“…A new strategy, namely “monomethod-heterotrait matrix”, is proposed, which can identify all the compositional drugs from a single CPM or identify a TCM from different CPMs, and quantify the Q-markers (from the monarch drug) from different CPMs. As the classic examples, selective ion monitoring (SIM) coupled with UHPLC separation is able to identify Notoginseng Radix et Rhizoma (San-Qi), Carthumi Flos (Hong-Hua), and Chuanxiong Rhizoma (Chuang-Xiong) from Shuxiong tablet 65 , and, on the other hand, can identify Carthumi Flos from eleven different CPMs using quinochalcone C -glycosides as the Q-markers 7 . The contents of five major Notoginseng saponins (representative of the monarch drug P. notoginseng ) in eight different CPMs are determined by a multiheart cutting 2D-LC approach 8 .…”

“…On one hand, the development of analytical techniques, such as multidimensional chromatography and LC–MS, has enabled the characterization of 500 plus components from a single herb, simultaneous quantitation of 40 plus compounds from a TCM formula3, 4, 5, 6, and even qualitative identification or quantitative evaluation of an herb from different TCM formula preparations7, 8. Automatic annotation of plant metabolites by in silico database is also achievable9, 10.…”