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Discrimination of cyclic peptide diastereomers by electrospray ionization tandem mass spectrometry
Authors:Bo Zheng  Yiquan Liu  Huihui Li  Yunhua Ye  Xingming Gao  Gu Yuan
Affiliation:Beijing National Laboratory for Molecular Sciences, Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of Education, Department of Chemical Biology, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China
Abstract:In this research, the characteristic ions' abundance ratio between two isomers A and B in MS/MS mass spectra was defined as a parameter for discriminating diastereomers. Through this ratio, the discrimination of four pairs of cyclic peptide (CP) diastereomers was successfully achieved. Furthermore, in the analysis of diastereomers' mixtures, both calibration curve and calculational methods were substantiated to have high precision and accuracy. The average absolute errors of the two methods were 2.0 and 2.5% in the 48 measurements of 16 samples, respectively. This research provided a promising approach for the analysis of the CP diastereomers in the fields of asymmetrical synthesis, chiral natural products and structural biology by ESI‐MS/MS. Copyright © 2009 John Wiley & Sons, Ltd.
Keywords:ESI mass spectrometry  abundance ratio of ions  cyclic peptide diastereomers  epimer  distinguishing diastereomer
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