Multi-Compound and Multi-Class Identification and Quantification using High Resolution LC-MS/MS

来源 :43rd International Symposium on High Performance Liquid Phas | 被引量 : 0次 | 上传用户:xxq0108
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  LC-MS/MS is a powerful analytical tool for the analysis of polar,semi-volatile,and thermally labile compounds of a wide molecular weight range,such as pesticides,veterinary drugs,mycotoxins and other food residues and contaminants.Mass analyzers based on triple quadrupole technology operated in Multiple Reaction Monitoring(MRM)mode deliver highly selective and sensitive quantitative results and are therefore well established for multi-target screening and quantitation of food contaminants.However,the use of triple quadrupole based mass analyzers limits the number of compound to quantify and identify.In addition there is an increasing demand for retrospective and possibly non-target data analysis.High resolution and accurate mass instruments are capable of performing targeted and non-targeted screening in a single LC-MS/MS run.Here,a generic QuEChERS procedure was used to extract residues and contaminants from fruit and vegetable samples.Extracts were subsequently analyzed by LC-MS/MS using a SCIEX QTOF system operated in high resolution accurate mass MS and MS/MS mode.Full scan MS and MS/MS data was explored to identify targeted compounds using extensive XIC lists of target compounds.Analytes were identified with high confidence based on retention time matching,mass accuracy,isotopic pattern,and MS/MS library searching.Quantitation was achieved in the same data processing step.The developed method was verified by analyzing proficiency test samples.Out of 44 residues 43 were identified correctly with zero false positives.The single false negative result was due to low QuEChERS recovery.It was found that the use of MS/MS information is crucial to minimize false positive results.
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