Native mass spectrometry-based metabolomics identifies metal-binding compounds.
Native mass spectrometry-based metabolomics identifies metal-binding compounds.
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DOI：
10.1038/s41557-021-00803-1
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发表时间：
2022-01
期刊：
影响因子：
21.8
通讯作者：
Dorrestein PC
中科院分区：
文献类型：
--
作者：
Aron AT;Petras D;Schmid R;Gauglitz JM;Büttel I;Antelo L;Zhi H;Nuccio SP;Saak CC;Malarney KP;Thines E;Dutton RJ;Aluwihare LI;Raffatellu M;Dorrestein PC
尽管金属对于生命的分子机制是必不可少的，但是从生物样品中发现金属-小分子复合物的系统方法是有限的。在这里，我们描述了一个两步本地电喷雾电离质谱法，其中柱后pH值调节和金属注入与离子身份分子网络，基于规则的数据分析工作流程相结合。该方法能够基于具有相同色谱图的离子种类的定义质量（m/z）偏移来鉴定复杂样品中的金属结合化合物。由于这种天然的电喷雾代谢组学方法适用于任何液相色谱-质谱系统，以探索任何金属的结合，这种方法有可能成为阐明生物学中金属结合分子的重要策略。
Although metals are essential for the molecular machineries of life, systematic methods for discovering metal-small molecule complexes from biological samples are limited. Here we describe a two-step native electrospray ionization-mass spectrometry method, in which post-column pH adjustment and metal-infusion are combined with ion identity molecular networking, a rule-based data analysis workflow. This method enabled the identification of metal-binding compounds in complex samples based on defined mass (m/z) offsets of ion species with the same chromatographic profiles. As this native electrospray metabolomics approach is suited for any liquid chromatography-mass spectrometry system to explore the binding of any metal, this method has the potential to become an essential strategy for elucidating metal-binding molecules in biology.