A novel hybrid scan approach enabling the ion-mobility separation and the alternate data-dependent and data-independent acquisitions (HDDIDDA): Its combination with off-line two-dimensional liquid chromatography for comprehensively characterizing the multicomponents from Compound Danshen Dripping Pill
文献类型：期刊论文
| 作者 | Wang, Hong-da3; Wang, Hui-min3; Wang, Xiang-yang3; Xu, Xiao-yan3; Hu, Ying3; Li, Xue3; Shi, Xiao-jian2; Wang, Si-miao3; Liu, Jie3; Qian, Yue-xin3 |
| 刊名 | ANALYTICA CHIMICA ACTA
 |
| 出版日期 | 2022-02-08 |
| 卷号 | 1193页码:12 |
| 关键词 | Alternate data-independent and data-dependent acquisition Ion mobility/quadrupole time-of-flight mass spectrometry Off-line two-dimensional liquid chromatography Multicomponent characterization Compound Danshen dripping pill |
| ISSN号 | 0003-2670 |
| DOI | 10.1016/j.aca.2021.339320 |
| 通讯作者 | Yang, Wen-zhi(wzyang0504@tjutcm.edu.cn) ; Guo, De-an(daguo@simm.ac.cn) |
| 英文摘要 | Data-dependent acquisition (DDA) and data-independent acquisition (DIA)-based MSn strategies are extensively applied in metabolites characterization. DDA gives accurate MSn information, but receives low coverage, while DIA covers the entire mass range, but the precursor-product ions matching often yields false positives. Currently available MS scan approaches rarely integrate DIA and DDA within a duty circle. Utilizing a Vion (TM) IM-QTOF (ion mobility-quadrupole time-of-flight) mass spectrometer, we report a novel hybrid scan approach, namely HDDIDDA, which involves three scan events: 1) IM-enabled full scan (MS1), 2) high-definition MSE (HDMSE) of all precursor ions (MS2); and 3) high-definition DDA (HDDDA) of top N precursors (MS2). As a proof-of-concept, the HDDIDDA approach combined with offline two-dimensional liquid chromatography (2D-LC) was applied to characterize the multiple ingredients from a reputable Chinese patent medicine, Compound Danshen Dripping Pill (CDDP) used for treating the cardiovascular diseases. An off-line 2D-LC system by configuring an XBridge Amide column and an HSS T3 column showed a measurable orthogonality of 0.92 and enhanced the separation of coeluting components. A fit-for-purpose HDDIDDA methodology was developed in the negative mode to characterize saponins and salvianolic acids, while tanshinones in the positive mode. Computational workflows to efficiently process the acquired HDMSE and HDDDA data were established, and the searching of an in-house CDDP library (recording 712 compounds) eventually characterized 403 components from CDDP, indicating approximate 12-fold improvement compared with the previous report. The HDDIDDA approach can measure collision cross section of each component, and merges the merits of DIA and DDA in MS2 data acquisition. (C) 2021 Elsevier B.V. All rights reserved. |
| WOS关键词 | MASS-SPECTROMETRY ; GINSENG |
| 资助项目 | Natural Science Foundation of Tianjin[20JCYBJC00060] ; National Natural Science Foundation of China[81872996] ; Tianjin Municipal Education Commission Research Project[2017ZD07] |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000800380600009 |
| 出版者 | ELSEVIER |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/301213]  |
| 专题 | 中国科学院上海药物研究所 |
| 通讯作者 | Yang, Wen-zhi; Guo, De-an |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Res Ctr Modernizat Tradit Chinese Med, Natl Engn Lab TCM Standardizat Technol, Shanghai Inst Mat Med, 501 Haike Rd, Shanghai 201203, Peoples R China 2.Yale Sch Med, Cellular & Mol Physiol, 850 Yale West Campus, West Haven, CT 06516 USA 3.Tianjin Univ Tradit Chinese Med, State Key Lab Component Based Chinese Med, 10 Poyanghu Rd, Tianjin 301617, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Hong-da,Wang, Hui-min,Wang, Xiang-yang,et al. A novel hybrid scan approach enabling the ion-mobility separation and the alternate data-dependent and data-independent acquisitions (HDDIDDA): Its combination with off-line two-dimensional liquid chromatography for comprehensively characterizing the multicomponents from Compound Danshen Dripping Pill[J]. ANALYTICA CHIMICA ACTA,2022,1193:12. |
| APA | Wang, Hong-da.,Wang, Hui-min.,Wang, Xiang-yang.,Xu, Xiao-yan.,Hu, Ying.,...&Guo, De-an.(2022).A novel hybrid scan approach enabling the ion-mobility separation and the alternate data-dependent and data-independent acquisitions (HDDIDDA): Its combination with off-line two-dimensional liquid chromatography for comprehensively characterizing the multicomponents from Compound Danshen Dripping Pill.ANALYTICA CHIMICA ACTA,1193,12. |
| MLA | Wang, Hong-da,et al."A novel hybrid scan approach enabling the ion-mobility separation and the alternate data-dependent and data-independent acquisitions (HDDIDDA): Its combination with off-line two-dimensional liquid chromatography for comprehensively characterizing the multicomponents from Compound Danshen Dripping Pill".ANALYTICA CHIMICA ACTA 1193(2022):12. |
入库方式： OAI收割
来源：上海药物研究所
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