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Extraribosomal cyclic tetradepsipeptides beauverolides: profiling and modeling the fragmentation pathways
Author(s) -
Jegorov Alexandr,
Paizs Bela,
Kuzma Marek,
Zabka Martin,
Landa Zdenek,
Sulc Miroslav,
Barrow Mark P.,
Havlicek Vladimir
Publication year - 2004
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.674
Subject(s) - chemistry , fragmentation (computing) , profiling (computer programming) , computational biology , computer science , operating system , biology
Profiling of cyclic tetradepsipeptides beauverolides was tested as a chemotaxonomic tool for fungal strain identification/discrimination. Two new tetradepsipeptides, beauverolides Q and R, were characterized by tandem mass spectrometry. Specific elimination of 113 atomic mass units from both protonated and sodiated molecules of beauverolides is ubiquitous for all 12 most dominant congeners evaluated in this profiling study. Reconstruction of the total ion chromatogram, according to this neutral fragment release, was used for data filtering and selectivity enhancement. Selective ring opening and fragment ion formation of beauverolide I are discussed in detail utilizing high‐level theoretical modeling of the fragmentation pathways. Copyright © 2004 John Wiley & Sons, Ltd.

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