Strategies for quantification and confirmation of multi-class polar pesticides and transformation products in water by LC–MS2 using triple quadrupole and hybrid quadrupole time-of-flight analyzers

Hernández, Félix; Pozo, Óscar J.; Sancho, Juan V.; López, Francisco J.; Marín, José M.; Ibáñez, María

doi:10.1016/j.trac.2005.04.007

Cited by 153 publications

(81 citation statements)

References 45 publications

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“…However, when polar pesticides and TPs have to be included in the analytical methodology, the application of liquid chromatography coupled to mass spectrometry (LC-MS) is required, and it has become the preferred technique for polar pesticide residues determinations [26,[32][33][34][35][36].…”

Section: Introductionmentioning

confidence: 99%

“…Thus, some methods have been based on the acquisition of only one transition, when using selected reaction monitoring (SRM) mode (LC-MS/MS methods), or even only on one ion measurement (LC-MS methods) for each target compound monitored. The acquisition of at least two MS 2 transitions and the measurement of their ion abundance ratio has been proposed to minimise the possibility of reporting false positives or false negatives [32,35], providing a more reliable confirmation process [38,39].…”

Section: Introductionmentioning

confidence: 99%

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Pesticide residues and transformation products in groundwater from a Spanish agricultural region on the Mediterranean Coast

Hernández

Marín

Pozo

et al. 2008

International Journal of Environmental Analytical Chemistry

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An overview is given on the presence and changes over time of pesticide residues in groundwater from the Valencia region, one of the most important citrus cultivation sites of southern Europe. A multiresidue LC-MS/MS method was applied for the screening of around 50 pesticides in 75 water samples collected during 2000. The herbicides simazine, terbuthylazine, bromacil, terbumeton, and diuron were the most frequently detected compounds. On the basis of compounds detected in these samples, another method that focused on 30 herbicides and relevant transformation products (TPs) was developed and applied to around 80 water samples collected during 2003. Simazine was the most frequently found compound followed by several triazine metabolites. Data for this paper show the vulnerability of groundwater in this area to herbicide applications and illustrate the importance of including pesticide TPs in environmental monitoring programmes, as four out of the five compounds most frequently detected were pesticide TPs.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Pesticide residues and transformation products in groundwater from a Spanish agricultural region on the Mediterranean Coast

Hernández

Marín

Pozo

et al. 2008

International Journal of Environmental Analytical Chemistry

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“…The investigation of other selected compounds was carried out in a post-target way, as searching of the compound was performed after MS acquisition [23]. Up to 5 narrow- Table 1), where many target analytes investigated by GC-MS/MS QqQ were also included, was investigated in treated and non-treated water samples.…”

Section: Analysis By Gc-tof Msmentioning

confidence: 99%

“…TOF MS gives a notable amount of chemical information in a single analysis that allows searching for a high number of compounds after MS acquisition. Our own research group has recently reported several applications of both GC-TOF and LC-TOF for investigation of organic contaminants in water samples [23][24][25][26][27].…”

Section: Introductionmentioning

confidence: 99%

Analytical strategy based on the use of liquid chromatography and gas chromatography with triple-quadrupole and time-of-flight MS analyzers for investigating organic contaminants in wastewater

et al. 2010

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The presence of a wide variety of organic pollutants with different physico-chemical characteristics has been investigated in wastewater samples from a municipal solid waste treatment plant placed at Castellón, Spain. An advanced analytical strategy has been applied, consisting on the combined used of two powerful and complementary techniques, GC and LC, both hyphenated with tandem mass spectrometry with triple quadrupole analyzers. The GC-MS/MS method was based on sample extraction using The most commonly detected pollutants were herbicides (simazine, terbuthylazine, terbutryn, terbumeton, terbacil and diuron), together with fungicides (thiabendazole and carbendazim) and 4-t-octylphenol. In the light of data obtained, it has been proven that reverse osmosis process used for water treatment was efficient and notably reduced the levels of organic contaminants found in raw leachate samples. 3In order to investigate the presence of other non-target contaminants, water samples were also analyzed by using GC-TOF MS and LC-QTOF MS. Several organic pollutants that did not form a part of the previous list of target contaminants were identified in the samples, thanks to the good sensitivity of TOF MS in full spectrum acquisition mode and the valuable accurate mass information provided by these instruments. The insecticide diazinon, the fungicide diphenylamide, the UV filter benzophenone, N-butyl benzenesulfonamide (N-BBSA), the insect repellent diethyltoluamide, caffeine or pharmaceuticals like erythromycin, benzenesulfonanilide, ibruprofen, atenolol or paracetamol, were some of the compounds identified in the water samples analyzed.

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“…[1][2][3][4][5] Hug et al 6) and Schymanski et al 7) found novel micropollutants and transformation products in their nontarget strategy. In this study, we used two automated methods, MAGMa 8) and MetFrag/MetFusion, 9,10) to identify compounds in an urban aquatic environment and evaluate the two methods using the results.…”

Section: Introductionmentioning

confidence: 99%

Identification of Anthropogenic Compounds in Urban Environments and Evaluation of Automated Methods for Reading Fragmentation

et al. 2016

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A work ow based on liquid chromatography/high-resolution mass spectrometry (LC/HR-MS) was applied for the identi cation of compounds in urban environments. Substances extracted by solid-phase extraction from river water were wholly analyzed by LC/HR-MS without any puri cation. Fragmentation in collision-induced dissociation was manually studied for the 20 most intense ions in positive-and negativeion electrospray ionization with accurate mass determination at a resolution of 100,000. Sixteen anthropogenic compounds in the extract were identi ed and con rmed using standard reference reagents. ese compounds consisted of pharmaceuticals, surfactants, ame retardants, and industrial intermediates. e majority of the compounds are common in our daily life. In the identi cation process, two automated methods, MAGMa and MetFrag/MetFusion, for reading fragmentation were evaluated for the sixteen compounds. Although automated methods could be used to retrieve the correct molecular structures in most cases, they could not always be promoted to the top rank. Automated methods have yet to be a complete solution for identifying chemical compounds, but will considerably reduce the burden for humans in reading fragmentation.

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Strategies for quantification and confirmation of multi-class polar pesticides and transformation products in water by LC–MS2 using triple quadrupole and hybrid quadrupole time-of-flight analyzers

Cited by 153 publications

References 45 publications

Pesticide residues and transformation products in groundwater from a Spanish agricultural region on the Mediterranean Coast

Pesticide residues and transformation products in groundwater from a Spanish agricultural region on the Mediterranean Coast

Analytical strategy based on the use of liquid chromatography and gas chromatography with triple-quadrupole and time-of-flight MS analyzers for investigating organic contaminants in wastewater

Identification of Anthropogenic Compounds in Urban Environments and Evaluation of Automated Methods for Reading Fragmentation

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