Method of generating an inclusion list for targeted mass spectrometric analysis
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United States of America Patent
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Feb 27, 2018
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Feb 13, 2017
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Feb 13, 2017
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Abstract
A method of generating an inclusion list for targeted mass spectrometric analysis is disclosed. Experimentally-acquired data for a plurality of isobarically-labeled peptides of interest is received at a computer. The data includes, for each of the isobarically-labeled peptides, a mass-to-charge (m/z) ratio, a charge state, and a chromatographic retention time. Predicted properties for a corresponding unlabeled peptide are determined via the computer. The predicted properties include a predicted m/z, a predicted charge state, and a predicted chromatographic retention time. The predicted properties for each corresponding unlabeled peptide are stored to the inclusion list. The predicted chromatographic retention time for the corresponding unlabeled peptide is determined based on hydrophobicity indices of the isobarically-labeled peptide and the corresponding unlabeled peptide, and chromatographic conditions for the targeted mass spectrometric analysis.
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