2024-03-28T19:35:51+01:00
https://library.wur.nl/oai
oai:library.wur.nl:wurpubs/399944
2024-03-11
urn:nbn:nl:ui:32-399944
2024-03-11
urn:nbn:nl:ui:32-399944/mods
Polyphenol Identification Based on Systematic and Robust High-Resolution Accurate Mass Spectroscopy Fragmentation
van der Hooft
J.J.J.
345799364
0000-0002-9340-5511
000000039167909X
aut
Vervoort
J.J.M.
07175301X
0000-0002-0091-5687
0000000390706754
aut
Bino
R.J.
071872353
0000000389715987
aut
Beekwilder
M.J.
145833925
0000-0003-3238-4427
0000000388740136
aut
de Vos
R.C.H.
084392762
0000-0002-1281-5624
0000000394202027
aut
text
info:eu-repo/semantics/article
2011
10.1021/ac102546x
78650784908
000285570600057
en
High-mass resolution multi-stage mass spectrometry (MSn) fragmentation was tested for differentiation and identification of metabolites, using a series of 121 polyphenolic molecules. The MSn fragmentation approach is based on the systematic breakdown of compounds, forming a so-called spectral tree. A chip-based nanoelectrospray ionization source was used combined with an ion-trap, providing reproducible fragmentation, and accurate mass read-out in an Orbitrap Fourier transform (FT) MS enabling rapid assignment of elemental formulas to the molecular ions and all fragment ions derived thereof. The used protocol resulted in reproducible MSn fragmentation trees up to MS5. Obtained results were stable over a 5 month time period, a concentration change of 100-fold, and small changes in normalized collision energy, which is key to metabolite annotation and helpful in structure and substructure elucidation. Differences in the hydroxylation and methoxylation patterns of polyphenolic core structures were found to be reflected by the differential fragmentation of the entire molecule, while variation in a glycosylation site displayed reproducible differences in the relative intensities of fragments originating from the same aglycone fragment ion. Accurate MSn-based spectral tree data are therefore a powerful tool to distinguish metabolites with similar elemental formula, thereby assisting compound identification in complex biological samples such as crude plant extracts.
VLAG
Laboratory of Plant Physiology
PRI Management
BIOS Applied Metabolic Systems
Biochemistry
EPS
collision-induced dissociation
flavonoid glycosides
msn
negative electrospray-ionization
nuclear-magnetic-resonance
o-glycosides
performance liquid-chromatography
phenolic-compounds
plant metabolomics
structural-characterization
VLAG
Laboratorium voor Plantenfysiologie
PRI Directie
BIOS Applied Metabolic Systems
Biochemie
EPS
Analytical Chemistry
83
1
409
416
00032700
urn:nbn:nl:ui:32-399944/obj
2024-03-11
http://purl.org/eprint/accessRights/RestrictedAccess