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首页> 外文期刊>Journal of chromatography, A: Including electrophoresis and other separation methods >Liquid chromatography coupled to tandem mass spectrometry and high resolution mass spectrometry as analytical tools to characterize multi-class cytostatic compounds
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Liquid chromatography coupled to tandem mass spectrometry and high resolution mass spectrometry as analytical tools to characterize multi-class cytostatic compounds

机译：液相色谱结合串联质谱和高分辨率质谱作为分析工具来表征多类抑制细胞生长的化合物

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Cytostatic compounds used in the treatment of cancer have emerged as a new generation of water contaminants due to the continuous amounts administered to patients and to the fact that a variable proportion is excreted unchanged. In this study, we have evaluated the performance of liquid-chromatography-tandem mass spectrometry (LC-MS/MS) and high resolution mass spectrometry using an Orbitrap analyzer (LC-HRMS) for the multiresidue determination of multi-class cytostatic compounds. In a first step, ionization conditions were tested in positive electrospray mode and optimum fragmentation patterns were determined. For LC-MS/MS, two selected reaction monitoring (SRM) transitions were optimized and for LC-HRMS, the molecular ion with 5. ppm error and two product ions were defined. Following, the chromatographic conditions were optimized considering that compounds analyzed have a very different chemical structure and chromatographic behavior. The best performance was obtained with a Luna C18 column, which permitted the separation of the 26 compounds in 15. min. Finally, the performance of LC-MS/MS and LC-HRMS was compared in terms of linearity, sensitivity, intra and inter-day precision and overall robustness. While LC-MS/MS provided good identification capabilities due to selective SRM transitions, LC-Orbitrap proved to be 100 times more sensitive. This study provides a comprehensive overview on the MS conditions to determine the outmost used cytostatic compounds and provides a spectral library to be used for the identification of these compounds in water or biological matrices.
机译：由于向患者连续施用的量以及可变比例不变地排泄的事实，用于治疗癌症的细胞抑制化合物已成为新一代的水污染物。在这项研究中，我们评估了使用Orbitrap分析仪（LC-HRMS）进行多类细胞抑制化合物多残留测定的液相色谱-串联质谱（LC-MS / MS）和高分辨率质谱的性能。第一步，以正电喷雾模式测试电离条件，并确定最佳裂解模式。对于LC-MS / MS，优化了两个选定的反应监测（SRM）过渡，对于LC-HRMS，定义了具有5. ppm误差的分子离子和两个产物离子。随后，考虑到所分析的化合物具有非常不同的化学结构和色谱行为，对色谱条件进行了优化。使用Luna C18色谱柱可获得最佳性能，该色谱柱可在15分钟内分离出26种化合物。最后，从线性，灵敏度，日内和日间精度以及整体鲁棒性方面比较了LC-MS / MS和LC-HRMS的性能。尽管由于选择性的SRM转换，LC-MS / MS提供了良好的识别能力，但事实证明LC-Orbitrap的灵敏度要高100倍。这项研究对MS条件进行了全面的概述，以确定最常用的抑制细胞生长的化合物，并提供了一个光谱库，用于鉴定水或生物基质中的这些化合物。

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