Aspergillus Metabolome Database for Mass Spectrometry Metabolomics

Journal of Fungi

Abraham Otero¹  Coral Barbas¹  Alberto Gil-de-la-Fuente¹  Maricruz Mamani-Huanca¹  Sergio Saugar²  Alejandra Garcia-Alvarez²  MaríaC. Stroe³  AxelA. Brakhage³ 

[1] Centre for Metabolomics and Bioanalysis (CEMBIO), Department of Chemistry and Biochemistry, Facultad de Farmacia, Universidad San Pablo-CEU, CEU Universities, Urbanización Montepríncipe, Boadilla del Monte, 28660 Madrid, Spain;Department of Information Technology, Escuela Politécnica Superior, Universidad San Pablo-CEU, CEU Universities, Urbanización Montepríncipe, Boadilla del Monte, 28660 Madrid, Spain;Department of Molecular and Applied Microbiology, Hans Knöll Institute (HKI), Leibniz Institute for Natural Product Research and Infection Biology, Institute of Microbiology, Friedrich Schiller University Jena, 07745 Jena, Germany;

关键词: Aspergillus;    mass spectrometry;    databases;    metabolomics;    annotation;    identification;   

DOI  :  10.3390/jof7050387

来源: DOAJ

【 摘 要 】

The Aspergillus Metabolome Database is a free online resource to perform metabolite annotation in mass spectrometry studies devoted to the genus Aspergillus. The database was created by retrieving and curating information on 2811 compounds present in 601 different species and subspecies of the genus Aspergillus. 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 m/z (mass/charge ratio) searches was added to CEU Mass Mediator; these queries can be performed over the Aspergillus 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 Aspergillus metabolite annotation based on m/z searches.

【 授权许可】

Unknown