S132 | UJIGCAPCICCS | A GC-APCI-IMS-HRMS CCS Library from Izquierdo-Sandoval et al. (2022)

This is the collection associated with S132 | UJIGCAPCICCS | A GC-APCI-IMS-HRMS CCS Library from Izquierdo-Sandoval et al. (2022) on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ A comprehensive GC-APCI-IMS-HRMS CCS Library including 398 CCS values of 250 emerging contaminants, described in Izquierdo-Sandoval et al. (2022) DOI: 10.1021/acs.analchem.2c01118 This library of GC-APCI+ amenable contaminants contains CCS, Linear Retention Index (LRI), MS/MS fragments and chemical class information for 250 substances (pesticides, PAHs, PCBs, PDBEs, OPEs), including 398 CCS values for various adducts and in source fragments, as described in Izquierdo-Sandoval et al. (2022) Anal. Chem. 2022, 94, 9040−9047, DOI: 10.1021/acs.analchem.2c01118. The primary files are the XLSX and CSV files entitled "UJIGCAPCICCS_CCS_LRI_Fragments_Class". The other CSV files are for annotation purposes. Many thanks to David Izquierdo-Sandoval for providing this dataset!