Quantitative Analysis of Unresolved Isomers and Isobars by Tandem Mass Spectrometry
This novel and improved deconvolution method allows high-throughput, quantitative analysis of isobars from unresolved chromatographic peaks, and accurate quantification of isomers or isobars in a complex mixture. Tandem mass spectrometry is attractive for many applications due to its high selectivity, wide dynamic range, and high throughput capabilities. Analysis of isobars and isomers by tandem mass spectrometry is complicated by the similarity between their mass spectra and often requires extensive chromatographic separation in order to eliminate mutual interference, and many methods for the separation of structural isomers are not compatible for quantitative analysis.
This invention provides algorithms and equations for the deconvolution and accurate quantitation of isomers and isobars present in an unresolved mixture. The method can be adapted to any tandem mass spectroscopy platform.
This method is useful for applications that require fast and accurate quantitative analysis of isomers and isobars without further resolution or separation steps. The need to analyze isobars and isomers exists in many applications, including clinical and forensic analysis, combinatorial chemistry, metabolic profiling, peptide analysis, and industrial and environmental analysis.
Stage of Development
US patent application 7,158,903 has issued. This technology is part of an active program and has is being used for clinical testing to improve quantitative analysis of methylmalonic acid and succinic acid without need for chromatographic resolution. The technology is available for licensing under non-exclusive terms.
Kushnir MM, Rockwood AL, Nelson GJ. (2004) Simultaneous quantitative analysis of isobars by tandem mass spectrometry from unresolved chromatographic peaks. Journal of Mass Spectrometry 39:532-40.
Mark Kushnir, Alan Rockwood, Gordon Nelson
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