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首页> 外文期刊>Journal of mass spectrometry: JMS >Improved partition equilibrium model for predicting analyte response in electrospray ionization mass spectrometry
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Improved partition equilibrium model for predicting analyte response in electrospray ionization mass spectrometry

机译：改进的分区平衡模型，用于预测电喷雾电离质谱中的分析物响应

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摘要

A previously proposed partition equilibrium model for quantitative prediction of analyte response in electrospray ionization mass spectrometry is modified to yield an improved linear relationship. Analyte mass spectrometer response is modeled by a competition mechanism between analyte and background electrolytes that is based on partition equilibrium considerations. The correlation between analyte response and solution composition is described by the linear model over a wide concentration range and the improved model is shown to be valid for a wide range of experimental conditions. The behavior of an analyte in a salt solution, which could not be explained by the original model, is correctly predicted. The ion suppression effects of 16: 0 lysophosphatidylcholine (LPC) on analyte signals are attributed to a combination of competition for excess charge and reduction of total charge due to surface tension effects. In contrast to the complicated mathematical forms that comprise the original model, the simplified model described here can more easily be employed to predict analyte mass spectrometer responses for solutions containing multiple components.
机译：修改了先前提出的用于定量预测电喷雾电离质谱中分析物响应的分区平衡模型，以产生改进的线性关系。分析物质谱仪的响应通过分析物与背景电解质之间的竞争机制建模，该竞争机制基于分配平衡的考虑。线性模型在较宽的浓度范围内描述了分析物响应与溶液成分之间的相关性，改进后的模型对多种实验条件均有效。可以正确预测盐溶液中分析物的行为，而原始模型无法解释该行为。 16：0溶血磷脂酰胆碱（LPC）对分析物信号的离子抑制作用归因于对多余电荷的竞争和由于表面张力效应而导致的总电荷减少的综合作用。与构成原始模型的复杂数学形式相比，此处描述的简化模型可以更轻松地用于预测包含多种组分的溶液的分析物质谱仪响应。

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