Simultaneously targeted and untargeted multicomponent characterization of Erzhi Pill by offline two-dimensional liquid chromatography/quadrupole-Orbitrap mass spectrometry
文献类型：期刊论文
| 作者 | Fu, Ling-ling1,3; Ding, Hui1,3; Han, Li-feng1,3; Jia, Li1,3; Yang, Wen-zhi1,3; Zhang, Chun-xia1,3; Hu, Ying1,3; Zuo, Tian-tian1,3; Gao, Xiu-mei1; Guo, De-an1,2
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| 刊名 | Journal of Chromatography A
 |
| 出版日期 | 2018 |
| ISSN号 | 00219673 |
| DOI | 10.1016/j.chroma.2018.11.024 |
| 文献子类 | Article |
| 英文摘要 | Large-scale targeted and untargeted metabolites characterization can be achieved by feat of different liquid chromatography/mass spectrometry (LC–MS) platforms by multiple MS experiments or using data-independent acquisition followed by precursor-product ions matching based on certain algorithms. The resulting insufficiency in efficiency and availability greatly restricts the applicability of these strategies in large-scale profiling and identification of various metabolites. A strategy simultaneously enabling both the targeted and untargeted metabolites characterization is established on a Q Exactive hybrid quadrupole-Orbitrap mass spectrometer, by integrating precursor ions list-triggered data-dependent MS2 acquisition (PIL/dd-MS2) of the targeted components and using the “If idle-pick others” (IIPO) function to induce untargeted metabolites fragmentation. A compounds-specific mass defect filter (MDF) algorithm is proposed as a method to generate the PIL. As a proof of concept, this strategy coupled with offline two-dimensional liquid chromatography (2D-LC) was applied to identify the multicomponents of a traditional Chinese medicine formula Erzhi Pill (EZP). A rigid MDF vehicle was elaborated by orthogonal screening of the integer mass and integer mass-dependent dynamic mass defects considering a variation of 20 ppm. The Full MS/dd-MS2 method enabling PIL and IIPO exhibited better performance than Full MS/dd-MS2 and Targeted SIM/dd-MS2 (selected ion monitoring) in respect of the sensitivity in identifying the targeted components and the ability to characterize more untargeted ones. As a consequence, 270 components were separated from EZP, and 146 thereof were selectively characterized. In conclusion, it is a practical, multifaced strategy facilitating the in-depth metabolites profiling and characterization of complex herbal and biological samples. |
| 语种 | 英语 |
| 出版者 | Elsevier B.V. |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/266968]  |
| 专题 | 上海中药现代化研究中心 |
| 通讯作者 | Yang, Wen-zhi |
| 作者单位 | 1.Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, 312 Anshanxi Road, Tianjin; 300193, China; 2.Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 501 Haike Road, Shanghai; 201203, China 3.Tianjin Key Laboratory of TCM Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, 312 Anshanxi Road, Tianjin; 300193, China; |
| 推荐引用方式 GB/T 7714 | Fu, Ling-ling,Ding, Hui,Han, Li-feng,et al. Simultaneously targeted and untargeted multicomponent characterization of Erzhi Pill by offline two-dimensional liquid chromatography/quadrupole-Orbitrap mass spectrometry[J]. Journal of Chromatography A,2018. |
| APA | Fu, Ling-ling.,Ding, Hui.,Han, Li-feng.,Jia, Li.,Yang, Wen-zhi.,...&Guo, De-an.(2018).Simultaneously targeted and untargeted multicomponent characterization of Erzhi Pill by offline two-dimensional liquid chromatography/quadrupole-Orbitrap mass spectrometry.Journal of Chromatography A. |
| MLA | Fu, Ling-ling,et al."Simultaneously targeted and untargeted multicomponent characterization of Erzhi Pill by offline two-dimensional liquid chromatography/quadrupole-Orbitrap mass spectrometry".Journal of Chromatography A (2018). |
入库方式： OAI收割
来源：上海药物研究所
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