Predicted MS/MS Spectra in ESI-positive mode of CompTox Chemicals Dashboard Structures
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https://epa.figshare.com/articles/dataset/Predicted_MS_MS_Spectra_in_ESI-negative_mode_of_CompTox_Chemicals_Dashboard_Structures/7660883/2
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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-positive mode. These data are
provided in .dat ASCII format. <br>
提供机构：
The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure
创建时间：
2019-02-01
