S79 | UACCSCEC | Collision Cross Section (CCS) Library from UAntwerp

<p>This is the collection associated with list S79 UACCSCEC Collision Cross Section (CCS) Library from UAntwerp on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>A library containing the&nbsp;collision cross section (CCS) values&nbsp;of 311 adducts of 148 contaminants of emerging concern (CECs) and their metabolites&nbsp;measured with drift tube ion mobility high resolution mass spectrometry (in positive and negative ionization modes with&nbsp;N2 as drift gas) as described in Belova&nbsp;<em>et al.</em> (2021) DOI: <a href="https://pubs.acs.org/doi/10.1021/acs.analchem.1c00142">10.1021/acs.analchem.1c00142</a>.</p> <p>Changes: 27/04/2021 added new CIDs from deposition. 10/5/2021: added transformations table. 30/8/2022: corrected [M+H]+ for BDCIPP (CID <a href="https://pubchem.ncbi.nlm.nih.gov/compound/188119#section=Collision-Cross-Section">188119</a>) to 157.35 A^2 (from 178.72) upon request of the authors (see Belova <em>et al</em>. (2022) DOI: <a href="https://doi.org/10.1016/j.aca.2022.340361">10.1016/j.aca.2022.340361</a>).</p>