Predicted MS/MS Spectra in ESI-negative mode of CompTox Chemicals Dashboard Structures
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资源简介：
Predicted 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.
提供机构：
The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure创建时间：
2019-02-01
