在基于液相色谱-质谱联用仪的定量代谢组学中使用柱后注入标准品校正基质效应的策略。

IF 3.1 2区 化学 Q2 BIOCHEMICAL RESEARCH METHODS Journal of the American Society for Mass Spectrometry Pub Date : 2024-11-15 DOI:10.1021/jasms.4c00408
Anne-Charlotte Dubbelman, Bo van Wieringen, Lesley Roman Arias, Michael van Vliet, Roel Vermeulen, Amy C Harms, Thomas Hankemeier
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引用次数: 0

摘要

基质效应限制了流行的代谢组学技术液相色谱耦合质谱法(LC-MS)的定量准确性。基质效应是指与相关分析物共聚的化合物会导致电离增强或抑制,纠正这种现象的黄金标准是根据与作为内标添加到样品中的同位素的峰面积比值来定量分析物。然而,这些稳定同位素价格昂贵,有时还无法获得。在此,我们介绍一种替代方法:基质效应校正和使用柱后注入标准品(PCIS)的信号比对分析物进行定量。利用 LC-MS/MS 方法检测血浆中的八种内大麻素及相关代谢物,我们提供了选择、优化和评估 PCIS 候选物的策略。根据七种特征,我们选择了花生四烯丙基-2'-氟乙酰胺结构内大麻素类似物作为 PCIS。评估 PCIS 校正与不进行校正的三种方法表明,PCIS 校正可将至少六种分析物的基质效应、精密度和稀释线性度的值提高到可接受的范围内。PCIS 校正还使 8 种分析物中 6 种分析物在血浆和纯溶液中的校准曲线平行,甚至比用其稳定同位素标记的内标(即金标准)进行峰面积比校正的精度更高。这使得基于纯溶液的定量成为可能,向绝对定量迈出了重要一步。我们的结论是,PCIS 在 LC-MS 精确定量方面具有巨大的潜力,但迄今为止尚未得到充分重视。
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Strategies for Using Postcolumn Infusion of Standards to Correct for Matrix Effect in LC-MS-Based Quantitative Metabolomics.

The matrix effect limits the accuracy of quantitation of the otherwise popular metabolomics technique liquid chromatography coupled to mass spectrometry (LC-MS). The gold standard to correct for this phenomenon, whereby compounds coeluting with the analyte of interest cause ionization enhancement or suppression, is to quantify an analyte based on the peak area ratio with an isotopologue added to the sample as an internal standard. However, these stable isotopes are expensive and sometimes unavailable. Here, we describe an alternative approach: matrix effect correction and quantifying analytes using a signal ratio with a postcolumn infused standard (PCIS). Using an LC-MS/MS method for eight endocannabinoids and related metabolites in plasma, we provide strategies to select, optimize, and evaluate PCIS candidates. Based on seven characteristics, the structural endocannabinoid analogue arachidonoyl-2'-fluoroethylamide was selected as a PCIS. Three methods to evaluate the PCIS correction vs no correction showed that PCIS correction improved values for the matrix effect, precision, and dilutional linearity of at least six of the analytes to within acceptable ranges. PCIS correction also resulted in parallelization of calibration curves in plasma and neat solution, for six of eight analytes even with higher accuracy than peak area ratio correction with their stable isotope labeled internal standard, i.e., the gold standard. This enables quantification based on neat solutions, which is a significant step toward absolute quantification. We conclude that PCIS has great, but so far underappreciated, potential in accurate LC-MS quantification.

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来源期刊
CiteScore
5.50
自引率
9.40%
发文量
257
审稿时长
1 months
期刊介绍: The Journal of the American Society for Mass Spectrometry presents research papers covering all aspects of mass spectrometry, incorporating coverage of fields of scientific inquiry in which mass spectrometry can play a role. Comprehensive in scope, the journal publishes papers on both fundamentals and applications of mass spectrometry. Fundamental subjects include instrumentation principles, design, and demonstration, structures and chemical properties of gas-phase ions, studies of thermodynamic properties, ion spectroscopy, chemical kinetics, mechanisms of ionization, theories of ion fragmentation, cluster ions, and potential energy surfaces. In addition to full papers, the journal offers Communications, Application Notes, and Accounts and Perspectives
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