Automated sub-ppm mass accuracy on an ESI-TOF for use with drug discovery compound libraries
| Autor: | James M. Lau, Scott J. Brecker, Christopher J. Petucci, Nelson Huang, Justin G. Stroh |
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| Rok vydání: | 2007 |
| Předmět: |
Electrospray
Accuracy and precision Spectrometry Mass Electrospray Ionization Chromatography Chemistry Electrospray ionization Microchemistry Analytical chemistry Reproducibility of Results Robotics Mass spectrometry Mass measurement Sensitivity and Specificity Fourier transform ion cyclotron resonance Pharmaceutical Preparations Structural Biology Drug Design Spectroscopy Fourier Transform Infrared Nanotechnology Trace analysis Mass analysis Spectroscopy |
| Zdroj: | Journal of the American Society for Mass Spectrometry. 18(9) |
| ISSN: | 1044-0305 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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