Defensive root chemistry: MS based characterization of sesquiterpene lactone - and hydroxybenzeneacetic acid- derived defensive metabolites of Taraxacum officinale root latex

摘要

We developed an efficient pipeline for the dereplication and class prediction of 10 inositol-4-hydroxybenzeneacetic acid derivatives as well as 4 sesquiterpene lactone derivatives in different T. officinale accessions. high resolution Q-TOF MS and MS~2 spectra enabled the assignment of characteristic fragments for both compound classes. A Library was constructed based on high resolution MS~2 and low resolution MS~3 spectra. This library enables a rapid dereplication of plant extracts based on low resolution ion trap data or high resolution Q-TOF data. Applying this annotation pipeline to the analysis of the metabolite profile of different accessions allows us to identify root specific metabolites that may have defensive function against herbivores.