Applying an instrument-agnostizing methodology for the standardization of pesticide quantitation using different liquid chromatography-mass spectrometry platforms: A case study

Liquid chromatography coupled to mass spectrometry (LC-MS) is a powerful technique commonly used for pesticide residue analysis in agri-food matrices. Despite the fact it has several advantages, one of the main problems is the transferability of the data from one analytical equipment to another for identification and quantitation purposes. In this study, instrument-agnostizing methodology was used to set standard retention scores (SRSs), which was utilized as a parameter for the identification of 74 targeted compounds when different instruments are used. The SRS variation was lower than 5% for most of the compounds included in this study, which is much lower than those obtained when retention times were compared, correcting the elution shift between LC instruments. Additionally, this methodology was also tested for quantitation purposes, and normalized areas were used as analytical responses, allowing for the determination of the concentrations of the targeted compounds in samples injected in one equipment using the analytical responses of standards from another one. The applicability of this approach was tested at two concentrations, 0.06 and 0.15 mg/kg, and less than 10 out of 74 compounds were quantified with an error higher than 40% at 0.06 mg/kg and 0.15 mg/kg, showing that this methodology could be useful to minimize differences between LC-MS systems. (c) 2021 Elsevier B.V. All rights reserved.