Application of ultra-high pressure liquid chromatography linear ion-trap orbitrap to qualitative and quantitative assessment of pesticide residues

The analysis of pesticides residues using a last generation high resolution and high mass accuracy hybrid linear ion trap-Orbitrap mass spectrometer (LTQ-Orbitrap-MS) was explored. Pesticides were extracted from fruits, fish, bees and sediments by QuEChERS and from water by solid-phase with Oasis HLB cartridges. Ultra-high pressure liquid chromatography (UHPLC)-LTQ-Orbitrap mass spectrometer acquired full scan MS data for quantification, and data dependent (dd) MS(2) and MS(3) product ion spectra for identification and/or confirmation. The regression coefficients (r(2)) for the calibration curves (two order of magnitude up to the lowest calibration level) in the study were ≥0.99. The LODs for 54 validated compounds were ≤2ngmL(-1) (analytical standards). The relative standard deviation (RSD), which was used to estimate precision, was always lower than 22%. The recovery of extraction and matrix effects ranged from 58 to 120% and from -92 to 52%, respectively. Mass accuracy was always ≤4ppm, corresponding to a maximum mass error of 1.6millimass units (mmu). This procedure was then successfully applied to pesticide residues in a set of the above-mentioned food and environmental samples. In addition to target analytes, this method enables the simultaneous detection/identification of non-target pesticides, pharmaceuticals, drugs of abuse, mycotoxins, and their metabolites.

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Main Authors: Farré, Marinella, Picó, Yolanda, Barceló, Damià
Format: artículo biblioteca
Language:English
Published: Elsevier 2014-02-07
Subjects:UHPLC, Contaminants identification, Environmental samples, Food samples, LTQ-Orbitrap-MS, Pesticide quantification, Ensure availability and sustainable management of water and sanitation for all,
Online Access:http://hdl.handle.net/10261/346069
https://api.elsevier.com/content/abstract/scopus_id/84892958135
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spelling dig-idaea-es-10261-3460692024-05-14T20:40:26Z Application of ultra-high pressure liquid chromatography linear ion-trap orbitrap to qualitative and quantitative assessment of pesticide residues Farré, Marinella Picó, Yolanda Barceló, Damià UHPLC Contaminants identification Environmental samples Food samples LTQ-Orbitrap-MS Pesticide quantification Ensure availability and sustainable management of water and sanitation for all The analysis of pesticides residues using a last generation high resolution and high mass accuracy hybrid linear ion trap-Orbitrap mass spectrometer (LTQ-Orbitrap-MS) was explored. Pesticides were extracted from fruits, fish, bees and sediments by QuEChERS and from water by solid-phase with Oasis HLB cartridges. Ultra-high pressure liquid chromatography (UHPLC)-LTQ-Orbitrap mass spectrometer acquired full scan MS data for quantification, and data dependent (dd) MS(2) and MS(3) product ion spectra for identification and/or confirmation. The regression coefficients (r(2)) for the calibration curves (two order of magnitude up to the lowest calibration level) in the study were ≥0.99. The LODs for 54 validated compounds were ≤2ngmL(-1) (analytical standards). The relative standard deviation (RSD), which was used to estimate precision, was always lower than 22%. The recovery of extraction and matrix effects ranged from 58 to 120% and from -92 to 52%, respectively. Mass accuracy was always ≤4ppm, corresponding to a maximum mass error of 1.6millimass units (mmu). This procedure was then successfully applied to pesticide residues in a set of the above-mentioned food and environmental samples. In addition to target analytes, this method enables the simultaneous detection/identification of non-target pesticides, pharmaceuticals, drugs of abuse, mycotoxins, and their metabolites. This work has been supported by the Spanish Ministry of Economy and Competitiveness and by the European Regional Development Fund (ERDF) through the projects “Assessing and Predicting Effects on Water Quantity and Quality in Iberian Rivers Caused by Global Change (SCARCE)” (No. CSD2009-00065, http://www.scarceconsolider.es) and “Evaluation of Emerging Contaminants in the Turia River Basins: From Basic Research to the Application of Environmental Forensics (EMERFOR)” (GCL2011-29703-C02-02, http://mefturia.es). Prof. Barceló acknowledges King Saud University for his visiting professorship. Peer reviewed 2024-02-07T18:08:04Z 2024-02-07T18:08:04Z 2014-02-07 artículo http://purl.org/coar/resource_type/c_6501 Journal of Chromatography A 1328: 66-79 (2014) 00219673 http://hdl.handle.net/10261/346069 10.1016/j.chroma.2013.12.082 24438835 2-s2.0-84892958135 https://api.elsevier.com/content/abstract/scopus_id/84892958135 en Journal of chromatography. A Postprint https://doi.org/10.1016/j.chroma.2013.12.082 Sí open Elsevier
institution IDAEA ES
collection DSpace
country España
countrycode ES
component Bibliográfico
access En linea
databasecode dig-idaea-es
tag biblioteca
region Europa del Sur
libraryname Biblioteca del IDAEA España
language English
topic UHPLC
Contaminants identification
Environmental samples
Food samples
LTQ-Orbitrap-MS
Pesticide quantification
Ensure availability and sustainable management of water and sanitation for all
UHPLC
Contaminants identification
Environmental samples
Food samples
LTQ-Orbitrap-MS
Pesticide quantification
Ensure availability and sustainable management of water and sanitation for all
spellingShingle UHPLC
Contaminants identification
Environmental samples
Food samples
LTQ-Orbitrap-MS
Pesticide quantification
Ensure availability and sustainable management of water and sanitation for all
UHPLC
Contaminants identification
Environmental samples
Food samples
LTQ-Orbitrap-MS
Pesticide quantification
Ensure availability and sustainable management of water and sanitation for all
Farré, Marinella
Picó, Yolanda
Barceló, Damià
Application of ultra-high pressure liquid chromatography linear ion-trap orbitrap to qualitative and quantitative assessment of pesticide residues
description The analysis of pesticides residues using a last generation high resolution and high mass accuracy hybrid linear ion trap-Orbitrap mass spectrometer (LTQ-Orbitrap-MS) was explored. Pesticides were extracted from fruits, fish, bees and sediments by QuEChERS and from water by solid-phase with Oasis HLB cartridges. Ultra-high pressure liquid chromatography (UHPLC)-LTQ-Orbitrap mass spectrometer acquired full scan MS data for quantification, and data dependent (dd) MS(2) and MS(3) product ion spectra for identification and/or confirmation. The regression coefficients (r(2)) for the calibration curves (two order of magnitude up to the lowest calibration level) in the study were ≥0.99. The LODs for 54 validated compounds were ≤2ngmL(-1) (analytical standards). The relative standard deviation (RSD), which was used to estimate precision, was always lower than 22%. The recovery of extraction and matrix effects ranged from 58 to 120% and from -92 to 52%, respectively. Mass accuracy was always ≤4ppm, corresponding to a maximum mass error of 1.6millimass units (mmu). This procedure was then successfully applied to pesticide residues in a set of the above-mentioned food and environmental samples. In addition to target analytes, this method enables the simultaneous detection/identification of non-target pesticides, pharmaceuticals, drugs of abuse, mycotoxins, and their metabolites.
format artículo
topic_facet UHPLC
Contaminants identification
Environmental samples
Food samples
LTQ-Orbitrap-MS
Pesticide quantification
Ensure availability and sustainable management of water and sanitation for all
author Farré, Marinella
Picó, Yolanda
Barceló, Damià
author_facet Farré, Marinella
Picó, Yolanda
Barceló, Damià
author_sort Farré, Marinella
title Application of ultra-high pressure liquid chromatography linear ion-trap orbitrap to qualitative and quantitative assessment of pesticide residues
title_short Application of ultra-high pressure liquid chromatography linear ion-trap orbitrap to qualitative and quantitative assessment of pesticide residues
title_full Application of ultra-high pressure liquid chromatography linear ion-trap orbitrap to qualitative and quantitative assessment of pesticide residues
title_fullStr Application of ultra-high pressure liquid chromatography linear ion-trap orbitrap to qualitative and quantitative assessment of pesticide residues
title_full_unstemmed Application of ultra-high pressure liquid chromatography linear ion-trap orbitrap to qualitative and quantitative assessment of pesticide residues
title_sort application of ultra-high pressure liquid chromatography linear ion-trap orbitrap to qualitative and quantitative assessment of pesticide residues
publisher Elsevier
publishDate 2014-02-07
url http://hdl.handle.net/10261/346069
https://api.elsevier.com/content/abstract/scopus_id/84892958135
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AT picoyolanda applicationofultrahighpressureliquidchromatographylineariontraporbitraptoqualitativeandquantitativeassessmentofpesticideresidues
AT barcelodamia applicationofultrahighpressureliquidchromatographylineariontraporbitraptoqualitativeandquantitativeassessmentofpesticideresidues
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