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Anal Chem

Title:		Benefits of Ion Mobility Separation in GC-APCI-HRMS Screening: From the Construction of a CCS Library to the Application to Real-World Samples
Author(s):		Izquierdo-Sandoval D; Fabregat-Safont D; Lacalle-Bergeron L; Sancho JV; Hernandez F; Portoles T;
Address:		"Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water (IUPA), University Jaume I, Av. Sos Baynat S/N, 12071 Castellon de la Plana, Spain"
Journal Title:		Anal Chem
Year:		2022
Volume:		20220613
Issue:		25
Page Number:		9040 - 9047
DOI:		10.1021/acs.analchem.2c01118
ISSN/ISBN:		1520-6882 (Electronic) 0003-2700 (Print) 0003-2700 (Linking)
Abstract:		"The performance of gas chromatography (GC) combined with the improved identification properties of ion mobility separation coupled to high-resolution mass spectrometry (IMS-HRMS) is presented as a promising approach for the monitoring of (semi)volatile compounds in complex matrices. The soft ionization promoted by an atmospheric pressure chemical ionization (APCI) source designed for GC preserves the molecular and/or quasi-molecular ion information enabling a rapid, sensitive, and efficient wide-scope screening. Additionally, ion mobility separation (IMS) separates species of interest from coeluting matrix interferences and/or resolves isomers based on their charge, shape, and size, making IMS-derived collision cross section (CCS) a robust and matrix-independent parameter comparable between instruments. In this way, GC-APCI-IMS-HRMS becomes a powerful approach for both target and suspect screening due to the improvements in (tentative) identifications. In this work, mobility data for 264 relevant multiclass organic pollutants in environmental and food-safety fields were collected by coupling GC-APCI with IMS-HRMS, generating CCS information for molecular ion and/or protonated molecules and some in-source fragments. The identification power of GC-APCI-IMS-HRMS for the studied compounds was assessed in complex-matrix samples, including fish feed extracts, surface waters, and different fruit and vegetable samples"
Keywords:		Animals *Atmospheric Pressure Gas Chromatography-Mass Spectrometry/methods *Ion Mobility Spectrometry;
Notes:		"MedlineIzquierdo-Sandoval, David Fabregat-Safont, David Lacalle-Bergeron, Leticia Sancho, Juan V Hernandez, Felix Portoles, Tania eng Research Support, Non-U.S. Gov't 2022/06/14 Anal Chem. 2022 Jun 28; 94(25):9040-9047. doi: 10.1021/acs.analchem.2c01118. Epub 2022 Jun 13"