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Native Electrospray-based Metabolomics Enables the Detection of Metal-binding Compounds

Aron, A. T.; Petras, D.; Schmid, R.; Gauglitz, J. M.; Buttel, I.; Antelo, L.; Zhi, H.; Saak, C. C.; Malarney, K. P.; Thines, E.; Dutton, R. J.; Raffatellu, M.; Dorrestein, P. C.

2019-10-30 biochemistry
10.1101/824888 bioRxiv
Show abstract

Metals are essential for the molecular machineries of life, and microbes have evolved a variety of small molecules to acquire, compete for, and utilize metals. Systematic methods for the discovery of metal-small molecule complexes from biological samples are limited. Here we describe a two-step native electrospray ionization mass spectrometry method, in which double-barrel post-column metal-infusion and pH adjustment is combined with ion identity molecular networking, a rule-based informatics workflow. This method can be used to identify metal-binding compounds in complex samples based on defined mass (m/z) offsets of ion features with the same chromatographic profiles. As this native metal metabolomics approach can be easily implemented on any liquid chromatography-based mass spectrometry system, this method has the potential to become a key strategy for elucidating and understanding the role of metal-binding molecules in biology.

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