Extraribosomal cyclic tetradepsipeptides beauverolides: profiling and modeling the fragmentation pathways.
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.
IVAX-Pharmaceuticals a.s., Branisovska 31, 370 05 Ceske Budejovice, Czech Republic.
Alexandr
A
Jegorov
Bela
B
Paizs
Marek
M
Kuzma
Martin
M
Zabka
Zdenek
Z
Landa
Miroslav
M
Sulc
Mark P
MP
Barrow
Vladimir
V
Havlicek
D015415:Biomarkers / Q000032:analysis; D002851:Chromatography, High Pressure Liquid; D047630:Depsipeptides; D005658:Fungi / Q000145:classification / Q000378:metabolism*; D010455:Peptides / Q000737:chemistry; D010456:Peptides, Cyclic / Q000032:analysis / Q000737:chemistry / Q000378:metabolism*; D011522:Protons; D012270:Ribosomes / Q000378:metabolism*; D013045:Species Specificity; D021241:Spectrometry, Mass, Electrospray Ionization
D015415:Biomarkers; D047630:Depsipeptides; D010455:Peptides; D010456:Peptides, Cyclic; D011522:Protons; C013833:beauverolides