<i>Aspergillus</i> Metabolome Database for Mass Spectrometry Metabolomics
2021
Alberto Gil-de-la-Fuente | Maricruz Mamani-Huanca | María C. Stroe | Sergio Saugar | Alejandra Garcia-Alvarez | Axel A. Brakhage | Coral Barbas | Abraham Otero
The <i>Aspergillus</i> Metabolome Database is a free online resource to perform metabolite annotation in mass spectrometry studies devoted to the genus <i>Aspergillus</i>. The database was created by retrieving and curating information on 2811 compounds present in 601 different species and subspecies of the genus <i>Aspergillus</i>. A total of 1514 scientific journals where these metabolites are mentioned were added as meta-information linked to their respective compounds in the database. A web service to query the database based on <i>m</i>/<i>z</i> (mass/charge ratio) searches was added to CEU Mass Mediator; these queries can be performed over the <i>Aspergillus</i> database only, or they can also include a user-selectable set of other general metabolomic databases. This functionality is offered via web applications and via RESTful services. Furthermore, the complete content of the database has been made available in .csv files and as a MySQL database to facilitate its integration into third-party tools. To the best of our knowledge, this is the first database and the first service specifically devoted to <i>Aspergillus</i> metabolite annotation based on <i>m</i>/<i>z</i> searches.
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