Chemometric approach to evaluate the parameters affecting electrospray: application of a statistical design of experiments for the study of arginine ionization.

Laurence Charles, Stéphanie Caloprisco, Salimo Mohamed, Michelle Sergent
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引用次数: 5

Abstract

The effects of different experimental parameters on arginine electrospray ionization have been investigated with response surface modelling design. This chemometric technique allows a study of the effects of selected experimental variables and their interactions on the response of an experiment by performing a limited number of analyses. Six variables were studied: methanol content in the liquid phase, formic acid concentration, electrospray voltage, orifice voltage, mobile phase flow rate, and sheath gas flow rate. Signal abundance and signal-to-noise ratio of the protonated molecule and the protonated dimer were measured from the electrospray mass spectra and these four responses were tested by the design. The factor that exhibits the greatest influence on MH+ abundance is shown to be the liquid flow rate whereas the formation of protonated dimer is mainly controlled by the percentage of methanol in the mobile phase. A strong synergic effect of methanol content and formic acid concentration in the liquid has also been demonstrated in the study of noise level. Moreover, the capabilities of the multicriteria optimization method have been demonstrated through a successful prediction of a set of optimal experimental conditions.

评价影响电喷雾参数的化学计量学方法:精氨酸电离实验统计设计的应用。
采用响应面模型设计研究了不同实验参数对精氨酸电喷雾电离的影响。这种化学计量学技术允许通过执行有限数量的分析来研究选定的实验变量及其相互作用对实验响应的影响。研究了液相甲醇含量、甲酸浓度、电喷雾电压、孔板电压、流动相流速和鞘层气流速6个变量。利用电喷雾质谱测量了质子化分子和二聚体的信号丰度和信噪比,并对这四种响应进行了测试。对MH+丰度影响最大的因素是液体流速,而质子化二聚体的形成主要受流动相中甲醇的百分比控制。在噪声水平的研究中也证明了液体中甲醇含量和甲酸浓度的强协同效应。此外,通过对一组最优实验条件的成功预测,证明了多准则优化方法的能力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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