Optimization of Resolving Power, Fragmentation, and Mass Calibration in an Orbitrap Spectrometer for Analysis of 24 Pesticide Metabolites in Urine.

Pablo Dualde,Vicent Yusà,Clara Coscollà,Agustin Pastor

doi:10.1155/2019/1917369

Abstract

Mass spectrometer parameters such as Resolving Power, type of fragmentation, and mass calibration mode were optimized in the analysis of 24 pesticide metabolites in human urine using Ultra-High Pressure Liquid Chromatography coupled to Orbitrap High-Resolution Mass Spectrometer (UHPLC-HRMS). The best results were achieved with a Resolving Power of 25,000 FWHM and by applying Collision Induced Dissociation fragmentation mode (40 eV).

Highlights

The ever growing number of chemicals being used, such as pesticides, care products, UV filters, parabens, and so on, has an impact on the environment and on humans, especially in vulnerable populations [1]
Mass spectrometer parameters such as Resolving Power, type of fragmentation, and mass calibration mode were optimized in the analysis of 24 pesticide metabolites in human urine using Ultra-High Pressure Liquid Chromatography coupled to Orbitrap HighResolution Mass Spectrometer (UHPLC-HRMS)
In a previous work [6], we studied the influence of the HCD collision energy on the fragmentation of various pesticide metabolites in urine, working at 50,000 FWHM

Summary

Introduction

The ever growing number of chemicals being used, such as pesticides, care products, UV filters, parabens, and so on, has an impact on the environment and on humans, especially in vulnerable populations [1]. To protect consumers from such contaminants, an evaluation of the exposure to these chemicals and the subsequent risk assessment is necessary. The European Environment and Health Strategy encourages the adoption of human biomonitoring studies across Europe [4]. Some pesticide metabolites are biomarkers of pesticide exposure. These metabolites are present in urine at concentrations of few ng mL−1 [2], and metabolite determination requires sensitive and selective analytical methods. The usual analytical technique for polar metabolites in human biomonitoring studies is the LC-MS/MS [5].

Objectives

Methods

Conclusion