Analytical Chemistry, Department of Chemistry BMC, Uppsala University, Uppsala 75237, Sweden.
J Am Soc Mass Spectrom. 2021 Jan 6;32(1):394-397. doi: 10.1021/jasms.0c00353. Epub 2020 Nov 24.
In this paper we investigate interferences that appear in molecular mass spectra from aquatic samples. The interferences are identified as doubly charged ions originating from high molecular weight material, which is especially abundant in terrestrial samples. The interferences could be incorrectly assigned to singly charged formulas with high aromaticity and heteroatom content, as the mass error from such formulas can be less than 1 ppm. We propose a strategy for filtering the interference peaks from mass lists based on the presence of their equivalent isotopologue peaks at mass defects of ∼0.5 Da.
本文研究了来自水相样品的分子质谱中出现的干扰。这些干扰被鉴定为源自高分子量物质的双电荷离子，而这些物质在陆地样品中尤为丰富。这些干扰可能会被错误地分配给具有高芳香性和杂原子含量的单电荷公式，因为这些公式的质量误差可以小于 1 ppm。我们提出了一种基于在约 0.5 Da 的质量缺陷处存在其等效同位素峰的策略，来从质量列表中过滤干扰峰。
