2022
DOI: 10.1002/jssc.202200267
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A multidimensional strategy to rapidly identify the chemical constituents in Shengxian Decoction by using ultra‐performance liquid chromatography coupled with ion mobility spectrometry quadrupole time‐of‐flight mass spectrometry

Abstract: As a well‐known traditional Chinese medicine formula, the chemical constituents of Shengxian Decoction still remain unclear due to its complexity. In this study, a multidimensional strategy based on ultra‐performance liquid chromatography coupled with ion mobility spectrometry quadrupole time‐of‐flight mass spectrometry and informatics UNIFI platform was applied to achieve rapid and comprehensive identification of the complex composition of Shengxian Decoction. Data‐independent acquisition, fast data‐directed … Show more

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Cited by 5 publications
(6 citation statements)
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“…The fragment ion at m/z 779 was produced when the precursor ion lost 42 Da, so it was presumed to be an acetylated compound 76, 78, or 89 . However, there were no fragment ions that can be used to distinguish the extra location of the acetylated, comparing literature [12, 13] and the different retention times, they were tentatively identified as 2′'‐O‐acetylsaikosaponin A (Figure 5B), 3′'‐O‐Acetyl‐Saikosaponin B 2 , 4′'‐O‐acetyl‐Saikosaponin A, 3′'‐O‐Acetyl‐saikosaponin D, and 4′'‐O‐acetyl‐saikosaponin D. At the same time, some saikosaponins also have malonyl groups. In negative ion mode, compound 88 had [M‐H] − ions at m/z 907.…”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…The fragment ion at m/z 779 was produced when the precursor ion lost 42 Da, so it was presumed to be an acetylated compound 76, 78, or 89 . However, there were no fragment ions that can be used to distinguish the extra location of the acetylated, comparing literature [12, 13] and the different retention times, they were tentatively identified as 2′'‐O‐acetylsaikosaponin A (Figure 5B), 3′'‐O‐Acetyl‐Saikosaponin B 2 , 4′'‐O‐acetyl‐Saikosaponin A, 3′'‐O‐Acetyl‐saikosaponin D, and 4′'‐O‐acetyl‐saikosaponin D. At the same time, some saikosaponins also have malonyl groups. In negative ion mode, compound 88 had [M‐H] − ions at m/z 907.…”
Section: Resultsmentioning
confidence: 99%
“…Take The fragment ion at m/z 779 was produced when the precursor ion lost 42 Da, so it was presumed to be an acetylated compound 76, 78, or 89. However, there were no fragment ions that can be used to distinguish the extra location of the acetylated, comparing literature [12,13] and the different retention times, they were tentatively identified as 2′'-O-acetylsaikosaponin A (Figure 5B The majority of ginseng are protopanaxatriol (PPT) type ginsenosides and protopanaxadiol (PPD) type ginsenosides and contains a small amount of oleanolic acid (OA) type ginsenosides [10,14]. Ginsenosides showed quasi-molecular ion [M-H] − or [M+HCOO] − in negative ion mode, in MS/MS spectra, ginsenosides are prone to breakage of glycosidic bonds, lose sugars (162 Da for Glu, 146 Da for Rha, 176 Da for Glu A), and typical product ions associated with the sapogenins (m/z 475 for PPT, 459 for PPD, and 455 for OA) [10,15,16].…”
Section: Saponinsmentioning
confidence: 99%
“…particularly in pharmacy [2][3][4][5][6][7], for example, in the recent analysis of traditional Chinese medicine [8][9][10][11][12][13][14][15][16][17][18][19][20][21].…”
Section: Introductionmentioning
confidence: 99%
“…This allows even higher theoretical plate numbers and even faster separations. Therefore, UHPLC is a popular technique where highly complex separations are required, particularly in pharmacy [2–7], for example, in the recent analysis of traditional Chinese medicine [8–21].…”
Section: Introductionmentioning
confidence: 99%
“…UPLC-MS has been proven to have excellent separation and detection abilities. UPLC-MS combined with various commercial databases and software, can provide a comprehensive and in-depth understanding of complex data, and this technology has become one of the common tools for qualitative and quantitative analysis in systems biology and traditional Chinese medicine research [20][21][22][23][24][25][26][27][28]. In the study, a high-throughput and reliable UPLC quadrupole TOF coupled with the MS method was established to systematically characterize the chemical profile of YQC.…”
Section: Introductionmentioning
confidence: 99%