DSSTox Calculated Collision Cross Section for Ion Mobility Mass Spectrometry File

<p>Calculated Collision Cross Sections for the protonated, deprotonated, and sodiated adducts of DSSTox compounds. Calculations were performed as described in <a href="https://arxiv.org/abs/1809.08378">Colby et al. 2018</a> (<a href="https://arxiv.org/abs/1809.08378">https://arxiv.org/abs/1809.08378</a>) and CCS calculations for more datasets, such as the HMDB, are available <a href="https://metabolomics.pnnl.gov/">here</a> (<a href="https://metabolomics.pnnl.gov/">https://metabolomics.pnnl.gov/</a>).</p>