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Structure elucidation of cyclic pyoverdins and examination of rearrangement reactions in MS/MS experiments by determination of exact product ion masses
Author(s) -
Schäfer Mathias,
Fuchs Regine,
Budzikiewicz Herbert,
Springer Andreas,
Meyer JeanMarie,
Linscheid Michael
Publication year - 2006
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.1068
Subject(s) - chemistry , pseudomonas fluorescens , tandem mass spectrometry , ion , tandem , mass spectrometry , resolution (logic) , stereochemistry , high resolution , molecule , fast atom bombardment , computational chemistry , chromatography , organic chemistry , bacteria , genetics , materials science , remote sensing , artificial intelligence , computer science , composite material , biology , geology
Structure elucidation of naturally occurring linear and cyclic peptidic compounds can be complicated by rearrangement reactions induced upon collision activation (CA) when parts of the molecule migrate, suggesting incorrect substitution patterns. Such complex rearrangements are examined and discussed for two iron complexing compounds produced by the bacterial genus Pseudomonas (so‐called pyoverdins). Various MS 2 ‐ and MS 3 ‐product ion experiments were performed using a quadrupole‐ion trap (QIT) at low resolution and a FT‐ICR at high resolution allowing accurate mass determinations. The results of the multidimensional study confirm the proposed processes. On the basis of the series of tandem‐MS experiments the structure of a new pyoverdin from a P. fluorescens strain [PVD(D47)] is deduced. Copyright © 2006 John Wiley & Sons, Ltd.