Applications in High Resolution Mass Spectrometry

Applications of High Resolution Mass Spectrometry: Food Safety and Pesticide Residue Analysis is the first book to offer complete coverage of all aspects of high resolution mass spectrometry (HRMS) used for the analysis of pesticide residue in food. Aimed at researchers and graduate students in food safety, toxicology, and analytical chemistry, the book equips readers with foundational knowledge of HRMS, including established and state-of-the-art principles and analysis strategies. Additionally, it provides a roadmap for implementation, including discussions of the latest instrumentation and software available.

Detailed coverage is given to the application of HRMS coupled to ultra high-performance liquid chromatography (UHPLC-HRMS) in the analysis of pesticide residue in fruits and vegetables and food from animal origin.

The book also discusses extraction procedures and the challenges of sample preparation, gas chromatography coupled to high resolution mass spectrometry, flow injection-HRMS, ambient ionization, and identification of pesticide transformation products in food. Responding to the fast development and application of these new procedures, this book is an essential resource in the food safety field.

• Arms researchers with an in-depth resource devoted to the rapid advances in HRMS tools and strategies for pesticide residue analysis in food
• Provides a complete overview of analytical methodologies and applications of HRMS, including UHPLC-HRMS, HRMS coupled with time of flight (TOF) and/or GC-Orbitrap, and flow injection-HRMS
• Discusses the current international regulations and legislation related to the use of HRMS in pesticide residue analysis
• Features a chapter on the hardware and software available for HRMS implementation
• Offers separate chapters on HRMS applied to pesticide residue analysis in fruits and vegetables and in food from animal origin

Researchers in universities, government agencies, and private industry in food safety, food chemistry, analytical chemistry, and toxicology; and graduate students in these areas

Chapter 1. HRMS: Fundamentals and Basic Concepts

• 1.1. Introduction (To High-Resolution Mass Spectrometry)
• 1.2. Resolution and Mass Resolving Power
• 1.3. Accurate Mass Measurement: Exact Mass and Mass Defect
• 1.4. Mass Calibration in High-Resolution Mass Spectrometry
• 1.5. General Considerations

Chapter 2. HRMS: Hardware and Software

• 2.1. Introduction
• 2.2. Principles of High-Resolution Mass Spectrometry Analyzers
• 2.3. Time-of-Flight Mass Spectrometry: Instrument Configuration and Main Features
• 2.4. Orbitrap Analyzers: Instrument Configurations and Main Features
• 2.5. Acquisition Modes in High-Resolution Mass Spectrometry
• 2.6. Databases and the Internet Resources for High-Resolution Mass Spectrometry

Chapter 3. Analytical Strategies Used in HRMS

• 3.1. Introduction
• 3.2. Advantages of High-Resolution Mass Spectrometry in Pesticide Analysis
• 3.3. Data Analysis Workflows in High-Resolution Mass Spectrometry
• 3.4. Conclusions

Chapter 4. Current Legislation on Pesticides

• 4.1. Introduction
• 4.2. Pesticides
• 4.3. Legislation
• 4.4. Analytical Quality Control—Method Validation
• 4.5. Mass Spectrometry in Pesticide Residue Analysis

Chapter 5. Advanced Sample Preparation Techniques for Pesticide Residues Determination by HRMS Analysis

• 5.1. Introduction
• 5.2. Matrix Effects and the Influence of Coextracted Components
• 5.3. Sample Preparation Techniques for Pesticide Residue Determination by Chromatographic Techniques Coupled to High-Resolution Mass Spectrometry
• 5.4. Perspectives and Conclusions

Chapter 6. Applications of Liquid Chromatography Coupled With High-Resolution Mass Spectrometry for Pesticide Residue Analysis in Fruit and Vegetable Matrices

• 6.1. Introduction
• 6.2. Applications of Pesticide Residue Analysis in Fruit and Vegetable Samples by LC-HRMS
• 6.3. Optimized Sample Preparation and Chromatographic Conditions for Mass Analyzers
• 6.4. Analytical Method Validation
• 6.5. Accurate Measurement of Pesticide Residues in Fruit and Vegetable Samples
• 6.6. Evaluation of Pesticide Residues in Fruit and Vegetable Samples
• 6.7. Conclusion

Chapter 7. Application of HRMS in Pesticide Residue Analysis in Food From Animal Origin

• 7.1. Introduction
• 7.2. Instrumental Requirements
• 7.3. Analytical Procedures: Extraction and Chromatographic Conditions
• 7.4. Quantitative and Qualitative Applications
• 7.5. Differences Between Low-Resolution Mass Spectrometry and High-Resolution Mass Spectrometry Analytical Methods
• 7.6. Overview and Future Perspectives

Chapter 8. Recent Advances in HRMS Analysis of Pesticide Residues Using Atmospheric Pressure Gas Chromatography and Ion Mobility

• 8.1. Introduction
• 8.2. Atmospheric Pressure Gas Chromatography
• 8.3. Time-of-Flight Mass Spectrometry
• 8.4. Ion Mobility Separation
• 8.5. Summary and Conclusion

Chapter 9. Direct Analysis of Pesticides by Stand-Alone Mass Spectrometry: Flow Injection and Ambient Ionization

• 9.1. Introduction
• 9.2. Flow Injection Analysis
• 9.3. Ambient Mass Spectrometry
• 9.4. Final Remarks and Future Trends

Chapter 10. Identification of Pesticide Transformation Products in Food Applying High-Resolution Mass Spectrometry

• 10.1. Introduction
• 10.2. Experimental
• 10.3. Imidacloprid Metabolites in Plants
• 10.4. Imazalil Metabolites in Plants and Soil
• 10.5. Propiconazole Metabolites in Plants and Soil
• 10.6. Conclusions