Reiko Kiyonami1, Iwao Sakane2, Seema Sharma1, Graeme McAlister1, Caroline Ding1 and Andreas Huhmer1
ASMS 2018
Purpose: Develop a product ion-dependent LC-MSn workflow to collect more structurally relevant fragment ion information for the annotation of flavonoids from natural products with increased coverage and confidence.
Methods: All the MS and MSn data were collected with Thermo Scientific™ Orbitrap ID-X™ Tribrid™ mass spectrometer. We collected MS/MS spectra on precursor ions detected in the survey MS scan within a 1.2 second cycle time. High order MSn (3-5) spectra were only collected when the MS detected the sugar neutral loss fragment ions in MS/MS and/or MS3-4 data. The MSn spectral tree data were processed using Thermo Scientific™ Mass Frontier ™ 8.0 and Thermo Scientific™ Compound Discoverer™ 3.0 software.
Results: Collecting more structurally relevant fragment ion information from the high order of MSn (3-5) enables the identification of more unknown flavonoid compounds from natural products. Two times more flavonoids were annotated using this new LC-MSn workflow from three fruit and vegetable juice samples.
1 Thermo Fisher Scientific, San Jose, CA, USA
2 ITO EN, LTD, Tokyo, Japan
United States
