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

A library containing the collision cross section (CCS) values of 311 adducts of 148 contaminants of emerging concern (CECs) and their metabolites measured with drift tube ion mobility high resolution mass spectrometry (in positive and negative ionization modes with N2 as drift gas) as described in Belova et al. (2021) DOI: 10.1021/acs.analchem.1c00142. Dataset DOI: 10.5281/zenodo.4704648. Changes: 27/04/2021 added new CIDs from deposition. 10/5/2021: added transformations table. 30/8/2022: corrected [M+H]+ for BDCIPP (CID 188119) to 157.35 A^2 (from 178.72) upon request of the authors (see Belova et al. (2022) DOI: 10.1016/j.aca.2022.340361).