DSSTox Calculated Collision Cross Section for Ion Mobility Mass Spectrometry File
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https://epa.figshare.com/articles/dataset/DSSTox_Calculated_Collision_Cross_Section_for_Ion_Mobility_Mass_Spectrometry_File/7134761/1
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资源简介：
Calculated Collision Cross Sections for the protonated,
deprotonated, and sodiated adducts of DSSTox compounds. Calculations were
performed as described in Colby et al. 2018 (https://arxiv.org/abs/1809.08378)
and CCS calculations for more datasets, such as the HMDB, are available here
(https://metabolomics.pnnl.gov/).
提供机构：
The United States Environmental Protection Agency’s Center for Computational Toxicology and Exposure
创建时间：
2018-09-26
