干旱区生态环境知识资源中心(Arid): Integrated Strategy Drives Direct Infusion-Tandem Mass Spectrometry as an Eligible Tool for Shotgun Pseudo-Targeted Metabolomics of Medicinal Plants

Arid

DOI	10.1021/acs.analchem.0c04602
	Integrated Strategy Drives Direct Infusion-Tandem Mass Spectrometry as an Eligible Tool for Shotgun Pseudo-Targeted Metabolomics of Medicinal Plants
	Zhang, Ke; Liu, Wenjing; Song, Qingqing; Wan, Jian-Bo; Yu, Juan; Gong, Xingcheng; Cao, Libo; Si, Dandan; Tu, Pengfei; Li, Jun; Song, Yuelin
通讯作者	Song, YL (corresponding author), Beijing Univ Chinese Med, Modern Res Ctr Tradit Chinese Med, Sch Chinese Mat Med, Beijing 100029, Peoples R China.
来源期刊	ANALYTICAL CHEMISTRY
ISSN	0003-2700
EISSN	1520-6882
出版年	2021
卷号	93 期号:4 页码:2541-2550
英文摘要	Direct infusion (DI) has an extraordinary high-throughput advantage. Pseudo-targeted metabolomics (PTM) has been demonstrated integrating the merits of both nontargeted and targeted metabolomics. Herein, we attempted to implant DI into the PTM concept to configure a new strategy allowing shotgun PTM. First, a versatile MS/MSALL program was applied to acquire MS1 and MS2 spectra. Second, online energy-resolved MS (online ER-MS) was conducted to obtain breakdown graph as well as optimal collision energy (OCE) for each ion transition paired by precursor ion and the dominant product ion. Third, selected reaction monitoring (SRM) was responsible to output a quantitative dataset with a constant length. Moreover, breakdown graph also served as orthogonal structural evidence when matching MS2 spectra between DI-MS/MS and an in-house library to strengthen structural annotation confidence. To evaluate and illustrate the utility of the new strategy toward shotgun PTM of medicinal plants, in-depth chemome comparison was conducted within three Cistanche species, all of which are edible medicinal plants and playing essential roles for turning the deserts into the oases. A total of 185 variables participated in the quantitative measurement program. Each diagnostic ion pair was featured with an OCE. Significant species differences occurred, and echinacoside, acteoside, isoacteoside, 2'-acetyl-acteoside, tubuloside B, mannitol, sucrose, betaine, malate, as well as choline were found to be confirmative chemical markers offering primary contributions toward the species discrimination. After cross-validation with LC-MS/MS, DI-MS/MS fortified with the new strategy is an eligible tool for shotgun PTM, beyond Cistanche plants.
类型	Article
语种	英语
收录类别	SCI-E
WOS记录号	WOS:000618089100081
WOS关键词	PERFORMANCE LIQUID-CHROMATOGRAPHY ; CISTANCHE-DESERTICOLA
WOS类目	Chemistry, Analytical
WOS研究方向	Chemistry
资源类型	期刊论文
条目标识符	http://119.78.100.177/qdio/handle/2XILL650/349445
作者单位	[Zhang, Ke; Liu, Wenjing; Song, Qingqing; Gong, Xingcheng; Cao, Libo; Tu, Pengfei; Li, Jun; Song, Yuelin] Beijing Univ Chinese Med, Modern Res Ctr Tradit Chinese Med, Sch Chinese Mat Med, Beijing 100029, Peoples R China; [Wan, Jian-Bo] Univ Macau, Inst Chinese Med Sci, State Key Lab Qual Res Chinese Med, Ave Univ, Zhuhai 999078, Macao, Peoples R China; [Yu, Juan] Zhangzhou Pien Tze Huang Pharmaceut Co Ltd, Zhangzhou 363000, Peoples R China; [Si, Dandan] SCIEX China, Beijing 100015, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Ke,Liu, Wenjing,Song, Qingqing,et al. Integrated Strategy Drives Direct Infusion-Tandem Mass Spectrometry as an Eligible Tool for Shotgun Pseudo-Targeted Metabolomics of Medicinal Plants[J],2021,93(4):2541-2550.
APA	Zhang, Ke.,Liu, Wenjing.,Song, Qingqing.,Wan, Jian-Bo.,Yu, Juan.,...&Song, Yuelin.(2021).Integrated Strategy Drives Direct Infusion-Tandem Mass Spectrometry as an Eligible Tool for Shotgun Pseudo-Targeted Metabolomics of Medicinal Plants.ANALYTICAL CHEMISTRY,93(4),2541-2550.
MLA	Zhang, Ke,et al."Integrated Strategy Drives Direct Infusion-Tandem Mass Spectrometry as an Eligible Tool for Shotgun Pseudo-Targeted Metabolomics of Medicinal Plants".ANALYTICAL CHEMISTRY 93.4(2021):2541-2550.