Applications in High Resolution Mass Spectrometry :Food Safety and Pesticide Residue Analysis

Publication subTitle :Food Safety and Pesticide Residue Analysis

Author: Romero-González   Roberto;Frenich   Antonia Garrido  

Publisher: Elsevier Science‎

Publication year: 2017

E-ISBN: 9780128096482

P-ISBN(Paperback): 9780128094648

Subject: TS207 food standard and inspection

Keyword: 分析化学,化学,普通生物学,食品工业,轻工业、手工业,毒物学(毒理学),药学

Language: ENG

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Applications in High Resolution Mass Spectrometry

Description

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, inc

Chapter

1.1.2 LOW-RESOLUTION MASS SPECTROMETRY VERSUS 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

Acknowledgments

REFERENCES

2 - HRMS: Hardware and Software

2.1 INTRODUCTION

2.2 PRINCIPLES OF HIGH-RESOLUTION MASS SPECTROMETRY ANALYZERS

2.2.1 TIME-OF-FLIGHT

2.2.2 FOURIER TRANSFORM ION CYCLOTRON RESONANCE

2.2.3 ORBITRAP

2.3 TIME-OF-FLIGHT MASS SPECTROMETRY: INSTRUMENT CONFIGURATION AND MAIN FEATURES

2.3.1 STAND-ALONE ELECTROSPRAY IONIZATION TIME-OF-FLIGHT AND HYBRID QUADRUPOLE TIME-OF-FLIGHT INSTRUMENTATION

2.3.2 IMPROVEMENTS OF CURRENT (QUADRUPOLE) TIME-OF-FLIGHT INSTRUMENTATION

2.3.3 ION MOBILITY QUADRUPOLE TIME-OF-FLIGHT

2.3.4 HYBRID ION TRAP TIME-OF-FLIGHT

2.3.5 GAS CHROMATOGRAPHY–TIME-OF-FLIGHT AND GAS CHROMATOGRAPHY–QUADRUPOLE TIME-OF-FLIGHT

2.4 ORBITRAP ANALYZERS: INSTRUMENT CONFIGURATIONS AND MAIN FEATURES

2.5 ACQUISITION MODES IN HIGH-RESOLUTION MASS SPECTROMETRY

2.5.1 DATA-DEPENDENT ACQUISITION

2.5.2 DATA-INDEPENDENT ACQUISITION

2.5.3 POSTACQUISITION APPROACHES

2.6 DATABASES AND THE INTERNET RESOURCES FOR HIGH-RESOLUTION MASS SPECTROMETRY

Acknowledgments

REFERENCES

3 - Analytical Strategies Used in HRMS

3.1 INTRODUCTION

3.2 ADVANTAGES OF HIGH-RESOLUTION MASS SPECTROMETRY IN PESTICIDE ANALYSIS

3.2.1 SELECTIVITY IN HIGH-RESOLUTION MASS SPECTROMETRY: ACCURATE MASS AND RESOLUTION IN QUALITATIVE ANALYSIS

3.2.2 IMPROVING SELECTIVITY BY TANDEM MASS SPECTROMETRY INFORMATION

3.2.3 QUANTITATIVE PERFORMANCE

3.3 DATA ANALYSIS WORKFLOWS IN HIGH-RESOLUTION MASS SPECTROMETRY

3.3.1 QUALITATIVE SCREENING METHOD VALIDATION

3.3.2 NONTARGET ANALYSIS

3.4 CONCLUSIONS

Acknowledgments

REFERENCES

FURTHER READING

4 - Current Legislation on Pesticides

4.1 INTRODUCTION

4.2 PESTICIDES

4.2.1 IDENTITY AND PHYSICOCHEMICAL PROPERTIES

4.2.2 PESTICIDES CLASSIFICATION

4.2.3 PESTICIDE METABOLITES AND TRANSFORMATION PRODUCTS

4.3 LEGISLATION

4.3.1 PESTICIDES AUTHORIZATION

4.3.2 MAXIMUM RESIDUE LIMITS

4.3.3 MONITORING PROGRAMS

4.4 ANALYTICAL QUALITY CONTROL—METHOD VALIDATION

4.4.1 GUIDELINES FOR PESTICIDE RESIDUE ANALYSIS

4.4.1.1 Method Validation for Pesticide Residues

4.4.1.2 Quality Assurance

4.4.1.3 Uncertainty

4.5 MASS SPECTROMETRY IN PESTICIDE RESIDUE ANALYSIS

4.5.1 MASS SPECTROMETRY IDENTIFICATION AND CONFIRMATION

4.5.2 POTENTIAL OF HIGH-RESOLUTION MASS SPECTROMETRY IN PESTICIDE RESIDUE ANALYSIS

REFERENCES

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 ...

5.3.1 DILUTE-AND-SHOOT

5.3.2 QUECHERS METHOD

5.3.3 MATRIX SOLID-PHASE EXTRACTION

5.3.4 SOLID-PHASE EXTRACTION

5.3.5 SOLID-PHASE MICROEXTRACTION AND STIR BAR SORPTIVE EXTRACTION

5.3.6 MICROWAVE-ASSISTED EXTRACTION

5.3.7 PRESSURIZED LIQUID EXTRACTION

5.4 PERSPECTIVES AND CONCLUSIONS

REFERENCES

6 - Applications of Liquid Chromatography Coupled With High-Resolution Mass Spectrometry for Pesticide Residue Analysis 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

6.4.1 MATRIX EFFECT

6.4.2 EVALUATION OF THE MATRIX INTERFERENCES BY UHPLC-HR/MS

6.4.3 LIMIT OF DETECTION, LIMIT OF QUANTITATION, ACCURACY, AND PRECISION

6.5 ACCURATE MEASUREMENT OF PESTICIDE RESIDUES IN FRUIT AND VEGETABLE SAMPLES

6.5.1 DETERMINATION OF CHLORINE ISOTOPE IN FOOD SAMPLES

6.5.2 DETERMINATION OF CARBON, CHLORINE, AND BROMINE ISOTOPE IN FOOD SAMPLES

6.6 EVALUATION OF PESTICIDE RESIDUES IN FRUIT AND VEGETABLE SAMPLES

6.7 CONCLUSION

Acknowledgments

REFERENCES

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

REFERENCES

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

8.2.1 INTRODUCTION

8.2.2 BACKGROUND

8.2.3 CURRENT DESIGN

8.2.4 IONIZATION MECHANISMS

8.2.5 IONIZATION TRENDS FOR PESTICIDES

8.2.6 PESTICIDE SCREENING USING ATMOSPHERIC PRESSURE GAS CHROMATOGRAPHY WITH HIGH-RESOLUTION MASS SPECTROMETRY

8.2.7 IMPROVED SELECTIVITY AND SENSITIVITY WITH ATMOSPHERIC PRESSURE GAS CHROMATOGRAPHY

8.2.8 CARRIER GAS FLOW RATE INCREASE

8.3 TIME-OF-FLIGHT MASS SPECTROMETRY

8.4 ION MOBILITY SEPARATION

8.4.1 BACKGROUND AND THEORY

8.4.2 APPLICATION OF TRAVELING WAVE ION MOBILITY SPECTROMETRY TO PESTICIDE SCREENING

8.4.3 SPECTRAL SELECTIVITY ENHANCEMENT

8.4.4 PROTOMER VISUALIZATION

8.5 SUMMARY AND CONCLUSION

Acknowledgments

REFERENCES

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

9.1 INTRODUCTION

9.2 FLOW INJECTION ANALYSIS

9.2.1 FIA METHOD DEVELOPMENT

9.2.1.1 Ionization Efficiency

9.2.1.2 MS Working Conditions

9.2.2 SAMPLE PREPARATION FOR FIA-MS-BASED METHODOLOGIES

9.2.3 FIA-MS METHODS PERFORMANCE

9.2.4 FIA-MS APPLICATIONS

9.3 AMBIENT MASS SPECTROMETRY

9.3.1 ELECTROSPRAY-BASED TECHNIQUES

9.3.2 PLASMA-BASED TECHNIQUES

9.3.3 AMBIENT MASS SPECTROMETRY METHOD DEVELOPMENT

9.3.3.1 Ambient Mass Spectrometry Ionization

9.3.3.2 Ambient Mass Spectrometry Working Conditions

9.3.4 SAMPLE HANDLING FOR AMBIENT MASS SPECTROMETRY-BASED METHODOLOGIES

9.3.5 AMBIENT MASS SPECTROMETRY METHOD PERFORMANCE

9.3.6 AMBIENT MASS SPECTROMETRY APPLICATIONS

9.4 FINAL REMARKS AND FUTURE TRENDS

Acknowledgments

REFERENCES

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

10.1 INTRODUCTION

10.2 EXPERIMENTAL

10.2.1 CHEMICALS AND REAGENTS

10.2.2 GREENHOUSE STUDY

10.2.3 PLANT EXTRACTION

10.2.4 LIQUID CHROMATOGRAPHY/QUADRUPOLE-TIME-OF-FLIGHT MASS SPECTROMETRY ANALYSIS

10.2.5 MASS PROFILER SOFTWARE

10.3 IMIDACLOPRID METABOLITES IN PLANTS

10.3.1 ACCURATE MASS DATABASES

10.3.2 MASS PROFILER PROFESSIONAL

10.3.2.1 Principal Component Analysis

10.3.2.2 Find Similar Entities

10.3.3 METABOLITE DISTRIBUTION AND MASS BALANCE FOR IMIDACLOPRID METABOLITES

10.4 IMAZALIL METABOLITES IN PLANTS AND SOIL

10.4.1 CHLORINE FILTER APPROACH

10.4.2 SOIL METABOLITES

10.5 PROPICONAZOLE METABOLITES IN PLANTS AND SOIL

10.5.1 CHLORINE FILTER APPROACH

10.6 CONCLUSIONS

REFERENCES

Index

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