Radboud University , Institute for Molecules and Materials, FELIX Laboratory, Toernooiveld 7c, 6525ED, Nijmegen, The Netherlands.
Pharmacokinetics, Dynamics & Metabolism, Janssen R&D, B-2340, Beerse, Belgium.
Anal Chem. 2017 Apr 18;89(8):4359-4362. doi: 10.1021/acs.analchem.7b00577. Epub 2017 Apr 3.
High-performance liquid chromatography was used in combination with infrared ion spectroscopy for the identification of positional isomers of hydroxy-atorvastatins, the primary metabolites of the drug atorvastatin. The results demonstrate the direct applicability of infrared ion spectroscopy in the field of drug metabolism and, more generally, its promising role in state-of-the-art analytical laboratories for the identification of small molecules buried in complex mixtures. In combination with chromatographic separation, infrared spectroscopy of mass-selected ions provides a promising new route for the identification of the molecular structures of unknown m/z peaks in a mass spectrum. We demonstrate that currently existing experimental protocols allow the measurement of an IR spectrum from less than 10 ng of sample obtained in a collected HPLC fraction.
高效液相色谱法与红外离子光谱相结合，用于鉴定阿托伐他汀药物的主要代谢物羟基阿托伐他汀的位置异构体。研究结果表明，红外离子光谱在药物代谢领域具有直接的适用性，更广泛地说，它在现代分析实验室中具有很大的潜力，可用于鉴定复杂混合物中隐藏的小分子。与色谱分离相结合，对质谱中选择的离子进行红外光谱分析，为鉴定质谱中未知质荷比峰的分子结构提供了一种很有前途的新途径。我们证明，目前现有的实验方案允许从收集的 HPLC 馏分中少于 10ng 的样品中测量红外光谱。
