Wu, Mengfan; Lin, Ruimei; Yin, Jiaxin; Ding, Hui; Han, Lifeng; Yang, Wenzhi; Bie, Songtao; Wang, Chunhua; Zheng, Wei; Song, Xinbo; Ma, Baiping; Yu, Heshui; Li, Zheng published the artcile< The multicomponent characterization of Shuanghe decoction by dimension-enhanced data-independent HDMSE: Focusing on the performance comparison between MSE and HDMSE>, Product Details of C19H34O2, the main research area is Shuanghe decoction chinese medicine ion mobility quadrupole mass spectrometry.
The co-elution, pervasive isomers, and frequently occurring in-source fragmentation definitely hinder the comprehensive characterization of the multiple components from traditional Chinese medicine (TCM) by liquid chromatog./mass spectrometry. Herein, a dimension-enhanced strategy, by utilizing an ion mobility quadrupole time-of-flight mass spectrometer coupled to ultra-high performance liquid chromatog. (UHPLC/IM-QTOF-MS) with the ability of offering four-dimensional information (retention time, Rt; drift time or collision cross section, CCS; accurate mass of precursors; and accurate MS2 product ions), is presented. Shuanghe Decoction (SHD) is a classic tonifying formula composed of nine herbs, however, little is known to its chem. complexity, hitherto. Good chromatog. separation was achieved on an HSS T3 column, and by the Vion IMS-QTOF high-resolution mass spectrometer, data-independent MSE and High-Definition MSE (HDMSE) in both the neg. and pos. electrospray ionization modes were employed for acquiring the collision-induced dissociation-MS2 data. A self-built database, including 642 known compounds, was established, which assisted to perform the automated peak annotation by UNIFI. By reference to 55 compounds, totally 236 components were identified or tentatively characterized from SHD with 4D data recorded. The combination of neg. and pos. modes could yield more information complementary to structural elucidation. Compared with the conventional MSE, HDMSE exhibit of merits in the provision of CCS, better separation and detection those easily co-eluting components, and reduction of the false positives in the identification results. Conclusively, the combination of HDMSE acquisition, inhouse library, and UNIFI-facilitated automated peak annotation, renders a potent approach dedicated to deconvoluting the chem. composition of complex systems like TCM formulas.
Arabian Journal of Chemistry published new progress about Angelica sinensis. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.
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