Predicted MS/MS Spectra in ESI-negative mode of CompTox Chemicals Dashboard Structures
Version 2 2024-04-11, 16:35
Version 1 2019-02-01, 14:48
dataset
posted on 2019-02-01, 14:48 authored by EPA's National Center for Computational ToxicologyPredicted
MS/MS spectra of ~700,000 chemical structures from the CompTox Chemicals
Dashboard were generated using the CFM-ID model developed by Allen, et al. (https://doi.org/10.1007/s11306-014-0676-4)
in ESI-negative mode. These data are
provided in .dat ASCII format.
