Published in

American Chemical Society, Journal of The American Society for Mass Spectrometry, 3(16), p. 406-408, 2005

DOI: 10.1016/j.jasms.2004.11.022

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Correction of accurate mass measurement for target compound verification by quadrupole time-of-flight mass spectrometry

Journal article published in 2005 by Harald C. Köfeler ORCID, Michael L. Gross
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

The aim of this work is to evaluate quadrupole/time-of-flight (QTOF) mass spectrometry for simultaneous measurement of accurate mass and quantification of a target by using a stable isotopically labeled internal standard. Mixtures of caffeine and (13)C(3)-caffeine (internal standard) at different concentration ratios were analyzed by capillary HPLC/QTOF. A calibration plot for quantification is linear over a factor of 20. Without invoking any correction scheme, the mass accuracy seriously degraded when the ratio of the mass standard to the test compound was not unity. The accuracy could be restored to approximately 2 ppm by using a quadratic function to correct the measured mass as a function of the measured signal ratio of target and internal calibrant.