Stroh Justin G, Petucci Christopher J, Brecker Scott J, Huang Nelson, Lau James M
Discovery Analytical Chemistry-Chemical Technologies, Chemical and Screening Sciences, Wyeth Research, Collegeville, Pennsylvania 19426, USA.
J Am Soc Mass Spectrom. 2007 Sep;18(9):1612-6. doi: 10.1016/j.jasms.2007.06.001. Epub 2007 Jun 16.
An automated, routine method to obtain sub-ppm accurate mass data on a benchtop electrospray ionization time-of-flight (ESI-TOF) mass spectrometer is described. Standards in the mass range 114 to 734 Da were analyzed over a 5-day period to demonstrate intra- and interday precision and mean mass accuracy less than 1 ppm. One hundred drug discovery pharmaceutical compounds were used to demonstrate an absolute average mass accuracy of 0.47 +/- 0.31 ppm. This is in contrast to previous reports of accurate mass analysis using time-of-flight mass spectrometry (TOFMS) technology that operates within 3 to 5 ppm. The same 100 samples were also analyzed using Fourier transform mass spectrometry (FTMS) technology and yielded comparable results to the TOFMS analysis.
本文描述了一种在台式电喷雾电离飞行时间（ESI-TOF）质谱仪上获取亚ppm级精确质量数据的自动化常规方法。在5天的时间内对质量范围为114至734 Da的标准品进行了分析，以证明日内和日间精密度以及平均质量准确度小于1 ppm。使用100种药物发现用药物化合物来证明绝对平均质量准确度为0.47±0.31 ppm。这与之前使用飞行时间质谱（TOFMS）技术进行精确质量分析的报告形成对比，之前的技术操作在3至5 ppm范围内。同样的100个样品也使用傅里叶变换质谱（FTMS）技术进行了分析，得到了与TOFMS分析相当的结果。
