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Building an Empirical Mass Spectra Library for Screening of Organic Pollutants by Ultra-high-pressure Liquid Chromatography/hybrid Quadrupole Time-of-flight Mass Spectrometry by Ramón Díaz; María Ibáñez; Juan V. Sancho; Félix Hernández is a Chemistry article available to read on EtoBox.

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## Abstract Hybrid quadrupole time‐of‐flight mass spectrometry (QTOF MS) has gained wide acceptance in many fields of chemistry, for example, proteomics, metabolomics and small molecule analysis. This has been due to the numerous technological advances made to this mass analyser in recent years. In the environmental field, the instrument has proven to be one of the most powerful approaches for the screening of organic pollutants in different matrices due to its high sensitivity in full acquisition mode and mass accuracy measurements. In the work presented here, the optimum experimental conditions for the creation of an empirical TOF MS spectra library have been evaluated. For this model we have used a QTOF Premier mass spectrometer and investigated its functionalities to obtain the best MS data, mainly in terms of mass accuracy, dynamic range and sensitivity. Different parameters that can affect mass accuracy, such as lock mass, ion abundance, spectral resolution, instrument calibration or matrix effect, have also been carefully evaluated using test compounds (mainly pesticides and antibiotics). The role of ultra‐high‐pressure liquid chromatography (UHPLC), especially when dealing

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Author

Ramón Díaz; María Ibáñez; Juan V. Sancho; Félix Hernández

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0951-4198)

Published

2010

Language

EN

Field

Chemistry (Physical Sciences)