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首页> 外文会议>American Society for Mass Spectrometry Conference on Mass Spectrometry and Allied Topics >Simultaneous Pharmacokinetic Quantitation and Metabolic Identification Using pMRM Survey Mode on a High Scan Rate QqQ/LIT LCMS
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Simultaneous Pharmacokinetic Quantitation and Metabolic Identification Using pMRM Survey Mode on a High Scan Rate QqQ/LIT LCMS

机译：在高扫描速率QQQ / LIT LCMS上使用PMRM测量模式同时使用PMRM测量模式的药代动力学定量和代谢识别

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摘要

The presented techniques demonstrate the power of the QTRAP~(~R) 5500 system for conducting simultaneous quantitative analysis and qualitative ID. Depending on the application the tradeoffs demonstrated between data quality and the ability to detect compounds would need to be evaluated for each application, though the results show potential for most in vivo and in vitro quant uses. For this experiment, all of the methods were applied to the entire time course. However, this data suggests that a pMRM run across all dilutions of all time points and a pMRM with EMS run over a subset of the total samples provides great coverage of many predictable species as well as some difficult to predict species. In the case of most met ID sample run at 1 to 2 (mu)M incubation [C], the sample need to be diluted by about 100X to give the highest quality MRM quant. As metabolites are discovered in the dilutions, the remaining sample volume can be used to find lower level and non predicted metabolites in an iterative fashion. Once a final metabolite list is generated an sMRM with IDA approach can be used to generate the highest quality and most sensitive quantitative and qualitative data available. With little intervention by the user, a workflow like the one described could allow discovery quantitation groups to quickly gain insight into a drug's metabolism, while conducting high quality quantitative experiments.
机译：所提出的技术展示了Qtrap〜（〜R）5500系统的功率，用于进行同时定量分析和定性ID。根据申请，需要对每个应用进行数据质量和检测化合物的能力之间所示的权衡，尽管结果显示了大多数体内和体外用途的可能性。对于该实验，所有方法都应用于整个时间课程。然而，该数据表明，在所有时间点的所有稀释液中运行的PMRM和具有EMS的PMRM在总样品的子集上运行，提供了许多可预测物种的覆盖范围，以及一些难以预测物种。在大多数满足ID样品的情况下，在1至2（mu）温育[C]时，需要将样品稀释约100倍以提供最高质量的MRM量子。在稀释液中发现代谢物，剩余的样品体积可用于以迭代方式找到较低水平和非预测的代谢物。一旦生成了最终的代谢物列表，使用IDA方法的SMRM可用于生成最高质量和最敏感的定量和定性数据。通过用户的干预很少，所描述的工作流程可以允许发现定量组能够快速地深入了解药物的新陈代谢，同时进行高质量的定量实验。

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