TOF MS within Food and Environmental Analysis Comprehensive Analytical Chemistry 1st Edition by Amadeo Fernandez Alba – Ebook PDF Instant Download/Delivery: B008P9V0BQ, 978-0444538116
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ISBN 10: B008P9V0BQ
ISBN 13: 978-0444538116
Author: Amadeo Fernandez Alba
New developments in mass spectrometry have allowed routine identification and lowered limits of detection at levels only imagined a decade ago. Thousands of contaminants and residues in the food supply and the environment are now being reported. Between 2005 and 2010, more than 5,000 publications covering TOF-MS and environmental and food analysis were published, showing the importance of the technique in these applications.
This book covers the basic principles of method development in GC- and LC-TOF-MS as well as the main operational parameters related to TOF-MS. The second part focuses on the relevant environmental applications, including quality control aspects as well as data collection. The third part is devoted to relevant applications in food analysis, including validation procedures for screening analysis as well as relevant databases.
– Outlines basic concepts and principles of gas and liquid chromatography TOF-MS and its application in food analysis
– Includes quality control and data collection techniques
– Focuses on environmental implications and safety concerns
TOF MS within Food and Environmental Analysis Comprehensive Analytical Chemistry 1st Table of contents:
Chapter 1. Application of HPLC-TOF-MS and HPLC-QTOF-MS/MS for Pesticide Residues Analysis in Fruit a
1. Introduction and Scope
2. Advantages of the Accurate Mass
3. Accurate Mass Databases and Automatic Searching
4. Applications of HPLC-TOF-MS for Multiresidue Analysis of Pesticides in Fruits and Vegetables
4.1. Target Analysis
4.1.1. Routine Monitoring of Target Pesticides
4.2. Nontarget Analysis
4.2.1. Nontarget Automatic Screening Analysis
4.2.2. Manual Searching for Unknown Compounds
4.2.3. Identification of Pesticide Transformation Products and Metabolites
5. Multiresidue Methods Based on Sequential TOF-MS and QTOF-MS/MS.
6. Conclusions and Future Trends
Acknowledgments
References
Chapter 2. Chemical Evaluation of Water Treatment Processes by LC-(Q)TOF-MS: Identification of Trans
1. Introduction
2. TPs in Wastewater Treatments
2.1. Sampling and Sample Preparation
2.2. Chromatographic Separation
2.3. Identification and Structural Elucidation
3. Strategies for Identification and Structural Elucidation of TPs by LC-(Q)TOF-MS: Practical Aspect
3.1. Calculation of the Elemental Composition
3.2. Use of Fragmentation Pathways
3.3. Isotope Abundance Measurements
4. Selected Applications of LC-(Q)TOF-MS in Water Treatment Processes: Transformation Pathways
4.1. Biological Treatments
4.2. Ozonation and Advanced Oxidation Processes
5. Conclusions
Acknowledgments
References
Chapter 3. Selected Applications of Accurate Mass Determinations Using LC-TOF for Toxic Compounds in
1. Accurate Mass Determinations
1.1. Data Interpretation
1.2. Additional Statistical Tests
1.3. Conclusions
2. Case Study 1: Injectable Solution of Oxytetracycline Contaminated with a Suspect Sulfonamide
2.1. Experimental
2.2. Results
2.2.1. Sulfanilamide
2.2.2. Sulfacetamide
2.2.3. Sulfaguanidine
2.2.4. Sulfapyridine
2.2.5. Sulfadiazine
2.2.6. Sulfathiazole
2.2.7. Sulfamerizine
2.2.8. Sulfabenzamide
2.2.9. Sulfamethazine
2.2.10. Sulfamethoxypyridazine
2.2.11. Sulfachlorpyridazine
2.2.12. Sulfaethoxypyridazine
2.2.13. Sulfaquinoxaline
2.2.14. Sulfadimethoxine and Sulfadoxine
2.2.15. Sulfanitran
2.3. Conclusions
3. Case Study 2: Green-Eyed Dog and Rhodamine Dye
3.1. Conclusions
4. Case Study 3: Thirty-Six Dead Birds and Contaminated Seeds
4.1. Method
4.2. Results
4.3. Conclusions
5. Overall Considerations and Conclusions
References
Chapter 4. High Mass Resolution Versus MS/MS
1. Introduction
1.1. A Personal Experience
2. Basic Principle of Modern HRMS Instruments
2.1. Time of Flight
2.2. Orbitrap
3. Selectivity
3.1. Selectivity Requirements for Residue Analysis
3.2. Isobaric Interferences a HRMS Problem
3.3. Which HRMS Resolution Provides MS/MS Selectivity?
3.4. The Price to be Paid for High Mass Resolution
3.5. Reported LC-MS Selectivity Limitations
3.6. The Need for Higher Selectivity MS/MS Instrumentation
4. Sensitivity
4.1. Comparing MS/MS to HRMS Sensitivity
4.2. Orbitrap- and TOF-Specific Sensitivity Issues
4.3. Different Characteristics of Analog Versus Digital Detector Noise
5. Quantitative Performance
5.1. General Quantification Performance
5.2. Orbitrap-Specific Suppression Effects
5.3. Comparing HRMS Versus MS/MS Quantification Performance
6. Confirmation
6.1. False Positive and False Negative Findings by MS/MS
6.2. Comparing HRMS to MS/MS Confirmatory Performance
6.3. Confirmation Based on Nonprecursor Selected Ion Ratio
6.4. Possibilities and Limitations of Current HRMS-Based Confirmation Techniques
7. Identification of Unknowns
7.1. Importance of Accurate Masses and Isotopic Abundances
7.2. Detecting Specific Moieties or Atoms by HRMS
8. Comprehensiveness of Detection
9. Conclusion
References
Chapter 5. Time-of-Flight Mass Spectrometry Versus Orbitrap-Based Mass Spectrometry for the Screenin
1. Introduction (The Race)
2. Fundamentals and Characteristics of Orbitrap Technology (Presentation of the Challenger)
3. From Theory to Practice (Track-and-Field Championship)
3.1. Environmental Analysis (Exercising in a Pristine World?)
3.2. Food Analysis (Meeting the Nutritional Needs of the Contestants)
3.3. In Vitro Drug Metabolism Studies (Inside the Athlete’s Body)
3.4. Doping Control and Forensic Drug Screening (Checking for Unfair Competition)
4. Conclusions (Award Ceremony: The Winner Is)
References
Chapter 6. Electrospray Operational Parameters in TOF-MS
1. Introduction
2. Theory
2.1. Fundamentals of a TOF Analyzer
2.2. Reference Mass Correction
2.3. Sample and Reference Mass Introduction and Ionization
3. Experimental
3.1. Instrumental Parameters
3.2. Optimization of Agilent Jet Stream Parameters for Pesticide Analysis
3.3. Optimization of Reference Mass Introduction for Samples with Complex Matrices
4. Results and Discussion
4.1. Optimization of Agilent Jet Stream Parameters
4.1.1. Nozzle and Capillary Voltage
4.1.2. Drying Gas and Sheath Gas Temperatures and Flows
4.2. Optimization of Reference Mass Introduction for Samples with Complex Matrices
4.2.1. Postcolumn Addition of Reference Masses
4.2.2. Non-nebulized Reference Mass Introduction
4.2.3. Dual Spray Approaches
4.3. Pesticide Screening in Complex Matrices Under Optimized Conditions
4.3.1. Target Screening for Pesticides
4.3.2. Quantitation and Batch Review
4.3.3. Beyond the Targets
5. Summary and Conclusion
Acknowledgments
References
Chapter 7. MALDI-TOF MS for Characterization of Synthetic Polymers in Aqueous Environment
1. Introduction
2. General Aspects of MS in Polymer Analysis
2.1. MS of Large Molecules
2.2. MALDI Process
2.3. MALDI Sample Preparation
2.4. Hyphenation of MALDI and TOF
2.5. MALDI-TOF Spectrum
2.6. ESI-q as an Alternative Method
2.7. Chromatographic Separation Prior to MS
3. Illustration: MALDI-TOF MS of Chitosan Oligosaccharide
4. Future of MALDI-TOF in Polymer Analysis: Fate and Degradation Studies
Acknowledgment
References
Chapter 8. The Potential of Ambient Desorption Ionization Methods Combined with High-Resolution Mass
1. Introduction
2. Ambient MS Techniques Used for Testing of Pesticides and Other Contaminant Residues
2.1. DART-MS Applied to Pesticide Testing in Food
2.1.1. Miscellaneous Application of DART-High-Resolution MS for Food Safety Testing
2.1.1.1. Melanine Detection in Diary Products
2.1.1.2. Screening of Mycotoxins in Maize Extracts
2.1.1.3. Profiling Additives and Preservatives in Soft Drinks by DART-TOFMS
2.1.1.4. Testing of Phthalates from Food Packaging Materials
2.2. DESI-MS Applied for Pesticide Testing in Food
2.3. Other Ambient MS Methods for Pesticide Testing and Food Safety Screening
3. Concluding Remarks
Acknowledgments
RefereGrapesws
1. Introduction
1.1. The Analytical Problems Associated with Pesticide Residue Analysis in Grapes
2. Improvement in Mass Spectral Detection by Using TOF
3. Improving the Chromatographic Separation-Possible with TOFMS
4. Development of a Robust Method for Pesticide Residue Analysis in Grapes
4.1. Sample Preparation-Extraction of Pesticides from Grapes
4.2. Sample Preparation-Extraction of Pesticides from Wine
4.3. Sample Preparation-Extraction of Pesticides from Grape Juice
4.4. The Development of Robust Chromatographic Conditions
4.4.1. Part I. Injection Techniques
4.4.1.1. Problems Encountered in the GC Inlet
4.4.1.2. Advantage of PTV-LVI Injection Technique
4.4.2. Part II. Column Combinations in GCxGC for Pesticide Residue Analysis
4.4.3. Part III. Steps in Optimization of MS Parameters
4.4.3.1. Optimization of Ion Source Temperature
4.4.3.2. Acquisition Rate
4.4.4. Part IV. Steps in Optimization of GC and GCxGC Parameters
4.4.4.1. Optimization of GC Conditions and Temperature Program for 1D Chromatography
4.4.4.1.1. Carrier Gas Flow Rates
4.4.4.1.2. GC Oven Temperature Program Optimization
4.4.4.2. Limitations of 1D Method for Analysis of Other Pesticides
4.4.4.2.1. Optimization of GCxGC Parameters
5. Comparative Appraisal of S/N in 1D (GC-TOFMS) with 2D (GCxGC-TOFMS)
6. Application of the Optimized GCxGC-TOFMS Method for Residue Monitoring in Grapes
7. Application of the Optimized GCxGC-TOFMS Method for Residue Monitoring in Wine
8. Screening for Nontarget Analytes
9. Evaluation of GCxGC-TOFMS vis-à-vis GC-MS/MS
10. Conclusion and Future Perspectives
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