File(s) stored somewhere else
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.
DSSTox Calculated Collision Cross Section for Ion Mobility Mass Spectrometry File
dataset
posted on 2018-09-26, 16:08 authored by EPA's National Center for Computational ToxicologyCalculated 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/).
