Brian E Sedio1,2, Cristopher A Boya P2,3, Juan Camilo Rojas Echeverri2. 1. Smithsonian Tropical Research Institute Apartado 0843-03092 Balboa, Ancón Republic of Panama. 2. Center for Biodiversity and Drug Discovery Instituto de Investigaciones Científicas y Servicios de Alta Tecnología Apartado 0843-01103 Ciudad del Saber Republic of Panama. 3. Department of Biotechnology Acharya Nagarjuna University Nagarjuna Nagar, 522 510 Guntur India.
Abstract
PREMISE OF THE STUDY: We 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 RESULTS: A 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. CONCLUSIONS: Our 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.
PREMISE OF THE STUDY: We 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 RESULTS: A 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. CONCLUSIONS: Our 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.
Entities:
Keywords:
chemical ecology; liquid chromatography; molecular networking; tandem mass spectrometry; tropical forest ecology; untargeted metabolomics
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