on 09-24-201912:47 PM - edited on 10-15-202108:20 AM by AnalyteGuru
Reiko Kiyonami, Caroline Ding, Seema Sharma and Andreas Huhmer
Metabolomics 2019 Purpose: Develop a structure-based MSn workflow to collect more structurally relevant fragment ion information for the annotation of saponins from traditional Chinese medicines with increased coverage and confidence.
Methods: All the MS and MSn data were collected with a Thermo Scientific™ Orbitrap ID-X™ Tribrid™ mass spectrometer. We collected MS2 spectra on precursor ions detected in the survey MS scan within a 1.2 second cycle time. Higher order MSn (3-4) spectra were only collected when the instrument detected the sugar neutral loss in MS2 and/or MS3 data. The MSn spectral tree data were processed using Thermo Scientific™ Mass Frontier™ 8.0 and Thermo Scientific™ Compound Discoverer™ 3.1 software.
Results: The structure-based MSn workflow was able to annotate 127 saponin compounds from a traditional Chinese medicine, Sanqi.