Matrix free laser desorption ionization assisted by C-13 NMR dereplication: A complementary approach to LC-MS2 based chemometrics
Document Type
Article
Publication Date
2-1-2023
Abstract
The identification of bioactive constituents from complex mixtures of Natural Products (NPs) is an important field of applied chemometrics. It requires the thorough chemical analysis of sample material, which is generally facilitated by liquid chromatography coupled to high-resolution tandem mass spectrometry (LC-MS2). Providing a simple and time efficient complementary approach, the current work presents the use of matrix free laser desorption ionization mass spectrometry (LDI-MS) within a chemometric model that allows the identification of activity markers in complex mixtures. As a working example the correct prediction and consecutive isolation of NPs with notable anti-AGEs effects from crude bark extracts of Garcinia parvifolia is discussed. Results were thoroughly compared to those obtained by a concurrently performed LC-MS2 analyses. In addition, the C-13 NMR dereplication tool MixONat was successfully used to confirm the structures of high yield activity markers directly from complex mixtures prior to their isolation. Overall LDI-MS yielded comparable results to LC-MS2 and should be considered as complementary technique in applied chemometrics.
Keywords
Chemometrics, Matrix free laser desorption ionization mass spectrometry, LC-MS2, C-13 NMR dereplication, Anti-AGE activity, Garcinia parvifolia
Divisions
CHEMISTRY
Funders
None
Publication Title
Talanta
Volume
253
Publisher
Elsevier
Publisher Location
RADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS