Abstract
Premise of the StudyWe describe a field collection, sample processing, and ultra‐high‐performance liquid chromatography–tandem mass spectrometry (UHPLC‐MS/MS) instrumental and bioinformatics method developed for untargeted metabolomics of plant tissue and suitable for molecular networking applications.Methods and ResultsA total of 613 leaf samples from 204 tree species was collected in the field and analyzed using UHPLC‐MS/MS. Matching of molecular fragmentation spectra generated over 125,000 consensus spectra representing unique molecular structures, 26,410 of which were linked to at least one structurally similar compound.ConclusionsOur workflow is able to generate molecular networks of hundreds of thousands of compounds representing broad classes of plant secondary chemistry and a wide range of molecular masses, from 100 to 2500 daltons, making possible large‐scale comparative metabolomics, as well as studies of chemical community ecology and macroevolution in plants.
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