File(s) stored somewhere else
https://gaftp.epa.gov/COMPTOX/NCCT_Publication_Data/Williams_A/CFM-ID/ESI-MSMS-pos-2018-Oct12.dat.gz
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.
Predicted MS/MS Spectra in ESI-positive mode of CompTox Chemicals Dashboard Structures
Version 3 2024-04-11, 16:34
Version 2 2019-02-01, 14:31
Version 1 2019-02-01, 14:27
dataset
posted on 2019-02-01, 14:31 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-positive mode. These data are
provided in .dat ASCII format.
