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Development of a fully automated toxicological LC-MS n screening system in urine using online extraction with turbulent flow chromatography

In clinical toxicology, fast and specific methods are necessary for the screening of different classes of drugs. Therefore, an online extraction high-performance liquid chromatography coupled to mass spectrometry (LC-MS n ) screening method using a MS 2 and MS 3 spectral library for the identificati... Full description

Journal Title: Analytical and Bioanalytical Chemistry 2011, Vol.400(1), pp.89-100
Main Author: Mueller, Daniel
Other Authors: Duretz, Bénédicte , Espourteille, Francois , Rentsch, Katharina
Format: Electronic Article Electronic Article
Language: English
Subjects:
ID: ISSN: 1618-2642 ; E-ISSN: 1618-2650 ; DOI: 10.1007/s00216-010-4560-4
Link: http://dx.doi.org/10.1007/s00216-010-4560-4
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recordid: springer_jour10.1007/s00216-010-4560-4
title: Development of a fully automated toxicological LC-MS n screening system in urine using online extraction with turbulent flow chromatography
format: Article
creator:
  • Mueller, Daniel
  • Duretz, Bénédicte
  • Espourteille, Francois
  • Rentsch, Katharina
subjects:
  • LC-MS
  • Turbulent flow chromatography
  • Online extraction
  • Toxicological screening
  • Clinical toxicology
ispartof: Analytical and Bioanalytical Chemistry, 2011, Vol.400(1), pp.89-100
description: In clinical toxicology, fast and specific methods are necessary for the screening of different classes of drugs. Therefore, an online extraction high-performance liquid chromatography coupled to mass spectrometry (LC-MS n ) screening method using a MS 2 and MS 3 spectral library for the identification of xenobiotic substances has been developed and validated. Samples were run twice, once native and once after enzymatic hydrolysis. Internal standards and buffer were added to the urine samples. Following centrifugation, the supernatant was injected into the system. Extraction was performed by online turbulent flow chromatography. The chromatographic separation was achieved using a Phenyl/Hexyl column. For detection, a linear ion trap, equipped with an APCI interface, was used and the different compounds were identified using a MS 2 and MS 3 spectral library containing 356 compounds. The turnaround time to report the results of the screening including hydrolysis was approximately 2 h. About 92% of the 356 substances could be identified with a limit of identification below 100 ng/ml. The recovery and matrix effect experiments showed suitable results, and in six drug-free urine samples of healthy volunteers analyzed for selectivity, no substances have been identified. Carryover could be well controlled, and the method had a good reproducibility. The comparison of the results of 103 real patient urine samples showed a good agreement between the existing GC-MS and LC-MS methods with offline extraction and the new online extraction LC-MS n screening method. The presented method allows a fast and sensitive analysis of a broad range of compounds.
language: eng
source:
identifier: ISSN: 1618-2642 ; E-ISSN: 1618-2650 ; DOI: 10.1007/s00216-010-4560-4
fulltext: fulltext
issn:
  • 1618-2650
  • 16182650
  • 1618-2642
  • 16182642
url: Link


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titleDevelopment of a fully automated toxicological LC-MS n screening system in urine using online extraction with turbulent flow chromatography
creatorMueller, Daniel ; Duretz, Bénédicte ; Espourteille, Francois ; Rentsch, Katharina
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subjectLC-MS ; Turbulent flow chromatography ; Online extraction ; Toxicological screening ; Clinical toxicology
descriptionIn clinical toxicology, fast and specific methods are necessary for the screening of different classes of drugs. Therefore, an online extraction high-performance liquid chromatography coupled to mass spectrometry (LC-MS n ) screening method using a MS 2 and MS 3 spectral library for the identification of xenobiotic substances has been developed and validated. Samples were run twice, once native and once after enzymatic hydrolysis. Internal standards and buffer were added to the urine samples. Following centrifugation, the supernatant was injected into the system. Extraction was performed by online turbulent flow chromatography. The chromatographic separation was achieved using a Phenyl/Hexyl column. For detection, a linear ion trap, equipped with an APCI interface, was used and the different compounds were identified using a MS 2 and MS 3 spectral library containing 356 compounds. The turnaround time to report the results of the screening including hydrolysis was approximately 2 h. About 92% of the 356 substances could be identified with a limit of identification below 100 ng/ml. The recovery and matrix effect experiments showed suitable results, and in six drug-free urine samples of healthy volunteers analyzed for selectivity, no substances have been identified. Carryover could be well controlled, and the method had a good reproducibility. The comparison of the results of 103 real patient urine samples showed a good agreement between the existing GC-MS and LC-MS methods with offline extraction and the new online extraction LC-MS n screening method. The presented method allows a fast and sensitive analysis of a broad range of compounds.
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descriptionIn clinical toxicology, fast and specific methods are necessary for the screening of different classes of drugs. Therefore, an online extraction high-performance liquid chromatography coupled to mass spectrometry (LC-MS n ) screening method using a MS 2 and MS 3 spectral library for the identification of xenobiotic substances has been developed and validated. Samples were run twice, once native and once after enzymatic hydrolysis. Internal standards and buffer were added to the urine samples. Following centrifugation, the supernatant was injected into the system. Extraction was performed by online turbulent flow chromatography. The chromatographic separation was achieved using a Phenyl/Hexyl column. For detection, a linear ion trap, equipped with an APCI interface, was used and the different compounds were identified using a MS 2 and MS 3 spectral library containing 356 compounds. The turnaround time to report the results of the screening including hydrolysis was approximately 2 h. About 92% of the 356 substances could be identified with a limit of identification below 100 ng/ml. The recovery and matrix effect experiments showed suitable results, and in six drug-free urine samples of healthy volunteers analyzed for selectivity, no substances have been identified. Carryover could be well controlled, and the method had a good reproducibility. The comparison of the results of 103 real patient urine samples showed a good agreement between the existing GC-MS and LC-MS methods with offline extraction and the new online extraction LC-MS n screening method. The presented method allows a fast and sensitive analysis of a broad range of compounds.
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abstractIn clinical toxicology, fast and specific methods are necessary for the screening of different classes of drugs. Therefore, an online extraction high-performance liquid chromatography coupled to mass spectrometry (LC-MS n ) screening method using a MS 2 and MS 3 spectral library for the identification of xenobiotic substances has been developed and validated. Samples were run twice, once native and once after enzymatic hydrolysis. Internal standards and buffer were added to the urine samples. Following centrifugation, the supernatant was injected into the system. Extraction was performed by online turbulent flow chromatography. The chromatographic separation was achieved using a Phenyl/Hexyl column. For detection, a linear ion trap, equipped with an APCI interface, was used and the different compounds were identified using a MS 2 and MS 3 spectral library containing 356 compounds. The turnaround time to report the results of the screening including hydrolysis was approximately 2 h. About 92% of the 356 substances could be identified with a limit of identification below 100 ng/ml. The recovery and matrix effect experiments showed suitable results, and in six drug-free urine samples of healthy volunteers analyzed for selectivity, no substances have been identified. Carryover could be well controlled, and the method had a good reproducibility. The comparison of the results of 103 real patient urine samples showed a good agreement between the existing GC-MS and LC-MS methods with offline extraction and the new online extraction LC-MS n screening method. The presented method allows a fast and sensitive analysis of a broad range of compounds.
copBerlin/Heidelberg
pubSpringer-Verlag
doi10.1007/s00216-010-4560-4
pages89-100
date2011-04