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Formation of multimeric steroid metal adducts and implications for isomer mixture separation by traveling wave ion mobility spectrometry

机译:通过行进波离子迁移光谱法形成多聚体类固醇金属加合物和异构混合物分离的影响

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摘要

Steroid analysis is essential to the fields of medicine and forensics, but such analyses can present some complex analytical challenges. While chromatographic methods require long acquisition times and often provide incomplete separation, ion mobility spectrometry (IMS) as coupled to mass spectrometry (MS) has demonstrated significant promise for the separation of steroids, particularly in concert with metal adduction and multimerization. In this study, traveling wave ion mobility spectrometry (TWIMS) was employed to separate multimer steroid metal adducts of isomers in mixtures. The results show the ability to separate steroid isomers with a decrease in resolution compared with single component standards because of the formation of heteromultimers. Additionally, ion-neutral collision cross sections (CCS) of the species studied were measured in the mixtures and compared with CCSs obtained in single component standards. Good agreement between these values suggests that the CCS may aid in identification of unknowns. Furthermore, a complex mixture composed of five sets of steroid isomers were analyzed, and distinct features for each steroid component were identified. This study further demonstrated the potential of TWIMS-MS methods for the rapid and isomer-specific study of steroids in biological samples for use either in tandem with or without chromatographic separation.
机译:类固醇分析对于医学和取证领域至关重要,但这种分析可以提出一些复杂的分析挑战。虽然色谱方法需要长时间的采集时间并且通常提供不完全的分离,但与质谱(MS)相连的离子迁移光谱(IMS)表现出对类固醇的分离的显着许可,特别是在与金属内进程和多聚合的音乐会中。在该研究中,采用行进波离子迁移光谱法(TWIM)以分离混合物中异构体的多型类固醇金属加合物。结果表明,由于形成异多聚体,将类固醇异构体与分辨率的降低分辨率分辨率降低。另外,在混合物中测量所研究的物种的离子中性碰撞横截面(CCS),并与单一组分标准标准中获得的CCS进行比较。这些值之间的良好一致性建议CCS可以有助于识别未知数。此外,分析了由五组类固醇异构体组成的复杂混合物,鉴定了每个类固醇组分的不同特征。本研究进一步证明了TWIMS-MS方法的潜力用于快速和异构体的类固醇类固醇研究,用于使用或不具有色谱分离的串联使用。

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