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European Patent granted for a new technique allowing in-situ quantification of structural isomers in mixtures without prior chromatographic separation 

Viola Schäfer and Karl-Michael Weitzel
Fachbereich Chemie, Philipps-Universität Marburg, 35032 Marburg, Germany

A European patent has been granted for a new technique allowing in-situ quantification of structural isomers in mixtures without prior chromatographic separation.

Quantitative mass spectrometry is one of the most powerful tools for chemical analysis in many areas, e.g., science, environmental analysis, in-line process analysis, forensic investigations etc. Often it is important to discern between structural isomers of a certain compound within a mixture of compounds. Usually then it is necessary to perform a separation of the substances / isomers forming the mixture, e. g. via chromatography, before analyzing the separated substances / isomers via mass spectrometry. 

The new analytical method presented herein allows the qualitative and quantitative analysis of structurally isomeric compounds of a mixture by mass spectrometry without the need of separating the constituents of the mixture beforehand. This is achieved by an advanced way of data acquisition and data analysis where the intricate differences within the mass spectra of structural isomers are analysed in time. This multidimensional approach makes use of ultra-short laser pulses, which are being modulated in their spectral phase φ(ω), thus leading to a multitude of information being contained in the signals of every acquired mass spectrum. This „hidden information“ is then subsequently evaluated by means of data mining within the mass spectra.

Application No. EP 20161225.6 (5.3.2020)

Inventor: Karl-Michael Weitzel, Viola Schäfer

Patent no granted: 3876260 (published in the European Patent Bulletin 43/2025, 22.10.2025)