Enhanced Pesticide Screening in Wines and Juices by Column-Switching Liquid Chromatography-Tandem Mass Spectrometry Using Multiple Activation Methods

20 January 2025, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

A commercial QqTOF platform (ZenoTOF 7600 system) was modified to enable three fragmentation modes, collision induced dissociation (CID), electron activated dissociation (EAD) and ultraviolet photodissociation (UVPD) at 266 nm. 168 pesticides, which showed fragmentation in CID provides also EAD spectra. In the case of UVPD, 158 compounds fragmented under 266 nm photon irradiation. The performance of the novel platform was evaluated using data independent CID SWATH acquisition for the general screening and schedule multiple product ion acquisition with CID/EAD/UVPD for confirmatory analysis of pesticides in juice, white and red wines samples. A column-switching LC method with online dilution was developed allowing for injection of large volumes (80 μL) into the system. The approach enabled the detection and concentration estimation of approximately thirty pesticides in juices and wines, including insecticides, neonicotinoids and fungicides. Pesticide LODs were found to be in the pg/ml to ng/ml range for MS1 and MS2 acquisitions.

Keywords

LC-MS/MS
column switching
pesticides
juice
wine
general screening
CID-EAD-UVPD

Supplementary materials

Title
Description
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Supporting Figures and Tables
Description
List of 168 pesticides, description of fruit, vegetable juices and wines analyzed, estimated concentrations and LOD’s measured in wine samples, schematic and settings of column-switching, MS/MS spectra of pesticides detected in samples.
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