Exactive LC-MS高分辨质谱全扫描数据采集可快速进行定性/定量分析

前言：

Current approaches to discovery stage drug metabolism studies (pharmacokinetics, hepatocyte stability, etc.) have focused on the use of targeted analysis (MRM) based approaches for quantitative analysis. This necessitates the optimization of parameters such as Q1 and Q3 m/z values, collision energy and interface voltages. These studies only detect the specified compound and information about other components, such as metabolites, is lost. The ability to do full scan acquisition for quantitation eliminates the need for compound optimization while enabling the detection of metabolites and other non-drug related endogenous components.

仪器：

Thermo Scientific Exactive high performance benchtop LC-MS

结论：

The acquisition of full scan MS data enables flexibility in post acquisition data processing which is not available when doing targeted analysis. This includes, for example, the ability to acquire data without the need to develop SRM methods for quantitation, and the use of HCD data for metabolite identification.

We have illustrated that full scan MS data can be used to provide quantitative information about parent drug and metabolites without a priori knowledge of the metabolites.

In addition, high resolution accurate mass data from HCD scans can be used for structural elucidation.