The molecular network of a family of sesquiterpene lactones and the distribution of a representative molecule with an MS/MS spectrum match to alantolactone.

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Presentation transcript:

The molecular network of a family of sesquiterpene lactones and the distribution of a representative molecule with an MS/MS spectrum match to alantolactone are shown. The molecular network of a family of sesquiterpene lactones and the distribution of a representative molecule with an MS/MS spectrum match to alantolactone are shown. All the labeled MS/MS peaks for alantolactone matched the MS/MS spectra available on the METLIN metabolite database. The known analogues at m/z 249.149 and 235.169 are annotated as hydroxyalantolactone and dihydroisoalantolactone based on the MS/MS data available on METLIN. The molecule at m/z 265.143 is annotated as dihydroxyalantolactone due to an increase in the parent mass of 15.99 Da from the mass of hydroxyalantolactone. The corresponding fragments with a 15.99-Da shift are labeled in the MS/MS spectra in blue. Orange represents spectra found in lichen samples only, pink represents spectra found in both lichen and cultured isolates, purple represents spectra detected only in cultured isolates, and grey nodes represent other combinations. Neha Garg et al. mSystems 2016; doi:10.1128/mSystems.00139-16