OzNOxESI: A Novel Mass Spectrometry Ion Chemistry for Elucidating Lipid Double-Bond Regioisomerism in Complex Mixtures

IF 6.7 1区 化学 Q1 CHEMISTRY, ANALYTICAL Analytical Chemistry Pub Date : 2025-01-16 DOI:10.1021/acs.analchem.4c05940
Ryan A. Smith, Ashraf M. Omar, Fayaj A. Mulani, Qibin Zhang
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Abstract

Double bond (C═C) position isomerism in unsaturated lipids can indicate abnormal lipid metabolism and pathological conditions. Novel chemical derivatization and mass spectrometry-based techniques are under continuing development to provide more accurate elucidation of lipid structure in finer structural detail. Here, we introduce a new ion chemistry for annotating lipid C═C positions, which is highly efficient for liquid chromatography–mass spectrometry-based lipidomics. This ion chemistry relies on the online derivatization of lipid C═C with ozone and nitrogen oxides upon fragmentation by tandem mass spectrometry, yielding characteristic product ions capable of unambiguously annotating C═C regioisomers. The new workflow was thoroughly evaluated with various glycerophospholipids and fatty acids and applied to human plasma lipid extract, successfully identified and quantified 270 glycerophospholipid and 36 fatty acid C═C isomers with an in-house developed software, OzNOx Companion, for automated data analysis.

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OzNOxESI:一种新的质谱离子化学方法,用于阐明复杂混合物中的脂质双键区域异构
不饱和脂质中的双键(C═C)位置异构现象可表明脂质代谢异常和病理状况。目前正在不断开发新型化学衍生和质谱技术,以便更准确地阐明脂质的结构细节。在此,我们介绍了一种用于注释脂质 C═C 位置的新型离子化学方法,它可高效地用于基于液相色谱-质谱的脂质组学研究。这种离子化学方法依靠臭氧和氮氧化物对脂质 C═C进行在线衍生,然后通过串联质谱进行碎片分析,从而产生特征性的产物离子,能够明确注释 C═C的区域异构体。利用自主开发的软件 OzNOx Companion 进行自动数据分析,成功鉴定并量化了 270 种甘油磷脂和 36 种脂肪酸的 C═C 异构体。
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来源期刊
Analytical Chemistry
Analytical Chemistry 化学-分析化学
CiteScore
12.10
自引率
12.20%
发文量
1949
审稿时长
1.4 months
期刊介绍: Analytical Chemistry, a peer-reviewed research journal, focuses on disseminating new and original knowledge across all branches of analytical chemistry. Fundamental articles may explore general principles of chemical measurement science and need not directly address existing or potential analytical methodology. They can be entirely theoretical or report experimental results. Contributions may cover various phases of analytical operations, including sampling, bioanalysis, electrochemistry, mass spectrometry, microscale and nanoscale systems, environmental analysis, separations, spectroscopy, chemical reactions and selectivity, instrumentation, imaging, surface analysis, and data processing. Papers discussing known analytical methods should present a significant, original application of the method, a notable improvement, or results on an important analyte.
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