Description of Gas-Phase Ion/Neutral Interactions in Differential Ion Mobility Spectrometry: CV Prediction Using Calibration Runs
Description of Gas-Phase Ion/Neutral Interactions in Differential Ion Mobility Spectrometry: CV Prediction Using Calibration Runs
复制标题
微分离子淌度谱中气相离子/中性相互作用的描述：使用校准运行进行 CV 预测
DOI：
10.1007/s13361-014-0934-8
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发表时间：
2014
影响因子：
3.2
通讯作者：
Volmer DA
中科院分区：
文献类型：
--
作者：
Auerbach D;Aspenleiter J;Volmer DA
差示离子迁移率光谱(DMS)与质谱联用在生物样品的定量分析中得到了越来越多的应用，并作为一种消除背景干扰的手段来提高选择性和改善质谱图的质量。然而，使用干惰性气体的DMS分离效率往往缺乏实现基线分离所需的选择性。因此，经常使用醇等极性气相改性剂来通过聚集/去聚集过程来提高选择性。目前，最佳修改剂的选择依赖于反复试验，这使得方法开发成为一项乏味的活动。这项研究的目的是建立一种使用同系醇作为气相改进剂的化合物的循环伏安曲线预测方法。这一预测是基于对具有最低和最高相对分子质量的醇的两次校正运行的补偿电压的线性回归，以及容易获得的参数，如质子亲和力和修饰剂分子的气相酸度。所有实验都是在商用四极线型离子陷阱质谱仪上进行的，在电喷雾电离源和入射四极透镜之间安装了DMS装置。我们使用一系列同源的4-烷基苯甲酸和23个高化学多样性的小分子来评估我们的方法。预测的CV值通常与实验确定的值偏差不到0.5V。几种测试化合物改变了所研究的气相改进剂的离子迁移率行为(例如，从B型变为A型)，因此无法进行评估。
Differential ion mobility spectrometry (DMS) coupled to mass spectrometry is increasingly used in both quantitative analyses of biological samples and as a means of removing background interferences for enhanced selectivity and improved quality of mass spectra. However, DMS separation efficiency using dry inert gases often lacks the required selectivity to achieve baseline separation. Polar gas-phase modifiers such as alcohols are therefore frequently employed to improve selectivity via clustering/declustering processes. The choice of an optimal modifier currently relies on trial and error experiments, making method development a tedious activity. It was the goal of this study to establish a means of CV prediction for compounds using a homologous series of alcohols as gas-phase modifiers. This prediction was based on linear regression of compensation voltages of two calibration runs for the alcohols with the lowest and the highest molecular weights and readily available descriptors such as proton affinity and gas phase acidity of the modifier molecules. All experiments were performed on a commercial quadrupole linear ion trap mass spectrometer equipped with a DMS device between electrospray ionization source and entrance quadrupole lens. We evaluated our approach using a homologous series of 4-alkylbenzoic acids and a selection of 23 small molecules of high chemical diversity. Predicted CV values typically deviated from the experimentally determined values by less than 0.5 V. Several test compounds changed their ion mobility behavior for the investigated gas phase modifiers (e.g., from type B to type A) and thus could thus not be evaluated.
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影响因子：
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作者：
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作者：
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作者：
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通讯作者：
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DOI：
10.1007/s12127-012-0104-2
发表时间：
2012-06
影响因子：
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作者：
G. Spangler
通讯作者：
G. Spangler
影响因子：
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作者：
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通讯作者：
Pervukhin, V. V.