{"accessLevel": "public", "bureauCode": ["020:00"], "contactPoint": {"fn": "Richard Judson", "hasEmail": "mailto:judson.richard@epa.gov"}, "description": "The dataset(s) supporting the conclusions of this article are available via the CompTox Chemistry Dashboard Downloads Page (https://comptox.epa.gov/dashboard/downloads) and MS-Ready GitHub repository (https://github.com/kmansouri/MS-ready). The MetFrag functionality is available through the web interface (https://msbi.ipb-halle.de/MetFragBeta/) and the command line version (http://c-ruttkies.github.io/MetFrag/projects/metfragcl/). All additional data supporting the conclusions of this article are included within the article and its additional files. \n\nThis dataset is associated with the following publication:\nMcEachran, A., K. Mansouri, C. Grulke, E. Schymanski, C. Ruttkies, and A. Williams. \u201cMS-Ready\u201d structures for non-targeted high-resolution mass spectrometry screening studies.   Journal of Cheminformatics. Springer, New York, NY, USA, 10(45): 1-16, (2018).", "distribution": [{"accessURL": "https://github.com/kmansouri/MS-ready", "title": "https://github.com/kmansouri/MS-ready"}, {"accessURL": "https://comptox.epa.gov/dashboard/downloads", "title": "https://comptox.epa.gov/dashboard/downloads"}, {"accessURL": "https://msbi.ipb-halle.de/MetFragBeta/", "title": "https://msbi.ipb-halle.de/MetFragBeta/"}], "identifier": "https://doi.org/10.23719/1503184", "keyword": ["high-resolution mass spectrometry (HRMS)", "Structure identification", "Structure curation", "Database searching", "ACToR"], "license": "https://pasteur.epa.gov/license/sciencehub-license.html", "modified": "2019-02-28", "programCode": ["020:095"], "publisher": {"name": "U.S. EPA Office of Research and Development (ORD)", "subOrganizationOf": {"name": "U.S. Environmental Protection Agency", "subOrganizationOf": {"name": "U.S. Government"}}}, "references": ["https://doi.org/10.1186/s13321-018-0299-2"], "rights": null, "title": "\"MS-Ready\u201d structures for non-targeted high-resolution mass spectrometry screening studies"}