Direct analysis in real time for reaction monitoring in drug discovery
Direct analysis in real time for reaction monitoring in drug discovery
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DOI：
10.1021/ac070443m
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发表时间：
2007-07-01
影响因子：
7.4
通讯作者：
Musselman, Brian
中科院分区：
文献类型：
--
作者：
Petucci, Chris;Diffendal, Jason;Musselman, Brian
真实的时间直接分析（DART）是一种新颖的电离技术，其提供在环境条件下小分子的快速电离。在这项研究中，几种市售药物以及药物发现研究中的实际化合物通过LC/UV/ESI-MS和DART连接到四极杆质谱仪进行了检查。对于大多数化合物，通过ESI-MS观察到的分子离子通过DART/MS观察。DART/MS也被研究作为快速监测合成有机反应和在药物发现中获得最终产物的几乎瞬时分子量确认的手段。对于简单的合成有机转化，DART/MS获得的反应物和产物的质谱信号强度的趋势与二极管阵列或LC/UV/ESI-MS获得的总离子色谱图的强度密切相关。总之，DART是一种新的工具，它补充了电喷雾电离，用于药物发现中化合物的快速电离和随后的质谱分析。
Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.