Thomas Steven R, Gerhard Ute
Merck Sharp and Dohme Research Laboratories, The Neuroscience Research Centre, Terlings Park, Eastwick Road, Harlow CM20 2QR, UK.
J Mass Spectrom. 2004 Aug;39(8):942-8. doi: 10.1002/jms.673.
Techniques such as mass spectrometry and NMR spectroscopy form an essential part of the medicinal chemist's toolbox for characterizing and assessing the purity of new molecules. Empowering medicinal chemists to gain early insight into their reaction products has a direct impact on productivity. Devolution of cutting-edge techniques from the specialist to the bench chemist also frees the specialist to concentrate on solving the more demanding of analytical problems. For open-access techniques to be taken up, they must be robust and be able to handle differing sample concentrations and varying sample complexities. This paper details the implementation of high-resolution liquid chromatography/mass spectrometry in open access to aid the medicinal chemist in characterizing desired products and identifying unexpected rearrangements, by-products and complete unknowns.
质谱分析和核磁共振光谱等技术是药物化学家用于表征和评估新分子纯度的工具箱中的重要组成部分。使药物化学家能够尽早深入了解其反应产物对提高生产力有直接影响。将前沿技术从专家下放至实验室化学家手中，也能使专家腾出精力专注于解决更具挑战性的分析问题。要使开放获取技术得到应用，它们必须具备强大的功能，并且能够处理不同的样品浓度和各异的样品复杂性。本文详细介绍了高分辨率液相色谱/质谱分析在开放获取中的应用，以帮助药物化学家表征所需产物，并识别意外的重排、副产物和完全未知的物质。
