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Biogeography shaped the metabolome of the genus Espeletia: a phytochemical perspective on an Andean adaptive radiation

Sci Rep
PMCID: 5562832
PMID: 28821838
DOI: 10.1038/s41598-017-09431-7

[…] al monoisotopic mass (<3 ppm accuracy) of the secondary metabolites reported in the subtribe Espeletiinae, in the family Asteraceae, and those from the Dictionary of Natural Products (DNP, We built a database containing all secondary metabolite reports of species from the subtribe Espeletiinae as follows: data collection using SciFinder (Chemical Abstract Service, USA) […]


A Scalable Platform to Identify Fungal Secondary Metabolites and Their Gene Clusters

Nat Chem Biol
PMCID: 5577364
PMID: 28604695
DOI: 10.1038/nchembio.2408

[…] n vs. novel compounds, we dereplicated the top scoring metabolites from each FAC-strain against the exact masses of ~280,000 known natural products from the Dictionary of Natural Products (; Online Methods). Also, observed MS2 spectra of metabolites were compared to computationally predicted MS2 spectra of compounds in PubChem (using the program MAGMa Online, https://www. […]


Mapping in the era of sequencing: high density genotyping and its application for mapping TYLCV resistance in Solanum pimpinellifolium

BMC Genomics
PMCID: 4367842
PMID: 25526885
DOI: 10.1186/1471-2164-15-1152

[…] n their spectra, retention time, molecular weight and fragmentation patterns. For LC-MS data, compound characteristics were analysed and compared using the Dictionary of Natural Products ( and in-house tomato metabolite databases. GC-MS data were annotated using the NIST Mass Spectral Search Program v2.0 ( by matching mass s […]


New Biomarkers of Coffee Consumption Identified by the Non Targeted Metabolomic Profiling of Cohort Study Subjects

PLoS One
PMCID: 3979684
PMID: 24713823
DOI: 10.1371/journal.pone.0093474

[…] of molecular formulae. Online databases such as the Human Metabolome Database (HMDB;, KNApSAcK (, Dictionary of Natural Products ( and Metlin ( were queried to hypothesize identities. In addition, a customized in-house database on coffee phytochemical metabolites was used, comprising all […]


Characterization of the natural variation in Arabidopsis thaliana metabolome by the analysis of metabolic distance

PMCID: 3337402
PMID: 22593725
DOI: 10.1007/s11306-011-0375-3

[…] could be calculated by Seven Golden Rules (Kind and Fiehn ). Library search in the KnapSack database ( and the Dictionary of Natural Products ( resulted in the annotation of 10 compounds of which eight were denoted as glucosinolates (supplementary information Table 7). Glucosinolate profiles of A. thaliana have indeed been re […]

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