Formation of Artifacts from Simple Phenolic Compounds in SFC-UV-(HR)MS

IF 6.7 1区 化学 Q1 CHEMISTRY, ANALYTICAL Analytical Chemistry Pub Date : 2025-02-19 DOI:10.1021/acs.analchem.4c05941
Eliise Tammekivi, Karine Faure
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Abstract

In this study, we present the formation of artifacts from simple phenolic compounds and derivatives in SFC-UV-MS analysis. These ions were detected only when the UV detector was turned on, demonstrating that UV light is necessary for their formation. Based on high-resolution mass spectrometry (HRMS) analysis of 21 standards in negative electrospray ionization mode, the artifacts were annotated as ions where CO2 or NO2 had been added to the molecular ion or to an ion that had lost a functional group. In approximately half of the cases, the MS signal of the artifact was higher than that of the molecular ion. Although the formation of artifacts can complicate nontarget analysis as the detected molecular ion does not match with the analyzed standard, we demonstrated that the phenomenon can aid with the structural identification of isomers due to the formation of specific ions. In addition, the overall MS signal increased when the UV was turned on, which can help with the detection of low-abundance compounds, and one compound─ anisole─ was detected only thanks to the artifact. Thus, the aim of this article is to make researchers aware of the UV effect in SFC-UV-MS analysis together with the advantages and disadvantages of artifact formation.

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SFC-UV-(HR)MS中简单酚类化合物伪影的形成
在这项研究中,我们介绍了SFC-UV-MS分析中简单酚类化合物及其衍生物的伪影的形成。这些离子只有在紫外线探测器打开时才被检测到,这表明紫外线对它们的形成是必要的。基于高分辨率质谱(HRMS)对21个标准品在负电喷雾电离模式下的分析,伪产物被标注为在分子离子或失去官能团的离子上添加了CO2或NO2的离子。在大约一半的情况下,伪影的质谱信号高于分子离子。虽然伪影的形成会使非目标分析复杂化,因为检测到的分子离子与分析的标准物不匹配,但我们证明,由于形成了特定的离子,这种现象可以帮助异构体的结构识别。此外,当紫外线打开时,整体质谱信号增加,这有助于检测低丰度的化合物,只有一种化合物──茴香醚──才被检测到,这要归功于伪像。因此,本文的目的是让研究人员了解SFC-UV-MS分析中的UV效应以及伪影形成的优点和缺点。
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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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