Pooling strategy to construct in-house high-resolution electrospray ionization tandem mass spectrometry database of drugs

Khadim, Adeeba; Zareena, Bibi; Hussain, S. Fazal; Jeelani, Syed Usama Yaseen; Ali, Asghar; Musharraf, Syed Ghulam

doi:10.1016/j.jiec.2021.12.017

Cited by 1 publication

(3 citation statements)

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“…The strategy for the preparation of standard pool mixtures for spectral library generation has been published already by our research group. 34 The standard drugs were grouped into three pools each containing around 53 drugs according to exact masses and Log P values. The Log P value is a measure of a compound's lipophilicity, which indicates its ability to dissolve in lipids or fats.…”

Section: Preparation Of Stock Solutionsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…The instrument throughput is reduced, and the cost of developing libraries is increased as a result of this strategy. A dedicated high-resolution tandem mass spectral library for veterinary drugs does not currently exist, which was constructed through a pooling strategy 25,33 and can be applied to a wide variety of food samples. This research aims to create a sensitive and reliable screening protocol for the identification and quantification of veterinary drugs in diverse sample types by using UHPLC-ESI-MS/MS library development.…”

Section: Introductionmentioning

confidence: 99%

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Targeted Analysis of Veterinary Drugs in Food Samples by Developing a High-Resolution Tandem Mass Spectral Library

Khadim,

Yaseen Jeelani,

Khan

et al. 2023

J. Agric. Food Chem.

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Veterinary drug residues present in foods can pose severe health threats to the population. The present study aims to develop a high-resolution mass spectral library of 158 veterinary drugs of 16 different classes for their rapid identification in food samples through liquid chromatography−high-resolution electrospray ionization-tandem mass spectrometry (LC-HR-ESI-MS/MS). Standard drugs were pooled according to their log P values and exact masses before analysis. Spectra were collected at system automated collision energy, i.e., of 25−60 eV and four predetermined collision energies (10, 20, 30, and 40 eV) for each compound using a schedule precursor list of [M + H] + , [M + Na] + , and [M + NH 4 ] + ions. The utility of the developed database was checked by analyzing food samples. A total of 17 veterinary drugs based on the reference standard retention times (RTs), HR-MS spectra, and MS/MS spectra were identified in the analyzed samples. Moreover, five veterinary drugs were selected for quantitative analysis, including doxycycline hyclate, lincomycin, sulfasalazine, moxifloxacin, and diphenoxylate, using liquid chromatography−ion trap mass-spectrometry (LC-IT-MS). Concentrations of the drug were obtained to vary from 0.0805 to 0.9731 mg/kg in food samples and were found to be exceeded in most of the cases as per the maximum residue levels described by Food and Agriculture Organization (FAO)/World Health Organization (WHO). The MS data were submitted to the MetaboLights online database (MTBLS2914). This study will help in the high-throughput screening of multiclass veterinary drugs in foodstuffs.

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Section: Preparation Of Stock Solutionsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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