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Theoretical optimization by genetic algorithm of delayed extraction parameters for a matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometer
Author(s) -
Tauro S.,
Razvi M. A. N.
Publication year - 2005
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.2219
Subject(s) - mass spectrometry , chemistry , ionization , extraction (chemistry) , time of flight mass spectrometry , time of flight , matrix (chemical analysis) , genetic algorithm , ion , laser , resolution (logic) , voltage , desorption , pulse (music) , analytical chemistry (journal) , focus (optics) , matrix assisted laser desorption/ionization , algorithm , chromatography , optics , physics , artificial intelligence , computer science , organic chemistry , quantum mechanics , adsorption , machine learning
Abstract This paper presents the application of a genetic algorithm (GA) to optimize the operating parameters, namely pulse voltage and extraction delay time, when using matrix‐assisted laser desorption ionization time‐of‐flight mass spectrometry (MALDI‐TOFMS). Simulations predict the presence of several combinations of these parameters that give a local maximum. The aim is to locate the optimal combination (a global maximum) of pulse voltage and extraction time delay in order to focus the ions of a particular m/z value to achieve the best resolution in a given instrumental geometry. The GA locates the global maximum quickly. The results indicate that it may be possible to achieve very high resolving power by using delayed extraction (DE)‐MALDI‐TOFMS with parameters obtained from the GA. Copyright © 2005 John Wiley & Sons, Ltd.