File(s) stored somewhere else

Please note: Linked content is NOT stored on The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure and we can't guarantee its availability, quality, security or accept any liability.

Chemistry Dashboard Data: Massbank Fragment File

posted on 2018-05-10, 18:20 authored by EPA's National Center for Computational Toxicology
A new “Tandem Mass Spectrometry Fragment Summary File” has been added to the downloads page for our mass spectrometry users. This file contains DTXSIDs, structural and neutral mass information from the CompTox Chemistry Dashboard mapped to precursor and MS/MS fragment summaries from mass spectral records submitted to European MassBank (MassBank.EU) and contained within the MASSBANKREF and MASSBANKEUSP lists. For more details download the ZIP file and examine the README file.