TOF-MS within food and environmental analysis
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| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Amsterdam [u.a.]
Elsevier
2012
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| Ausgabe: | 1. ed. |
| Schriftenreihe: | Comprehensive analytical chemistry
58 |
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| 100 | 1 | |a Fernández-Alba, Amadeo R. |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a TOF-MS within food and environmental analysis |c Amadeo R. Fernandez-Alba |
| 250 | |a 1. ed. | ||
| 264 | 1 | |a Amsterdam [u.a.] |b Elsevier |c 2012 | |
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| 653 | |a Food / Analysis | ||
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Datensatz im Suchindex
| _version_ | 1819657626468745216 |
|---|---|
| adam_text | Titel: TOF-MS within food and environmental analysis
Autor: Fernández-Alba, Amadeo R
Jahr: 2012
Contents
Contributors to Volume 58 xvii
Series Editor Preface xix
Volume Editor Preface xxi
1. Application of HPLC-TOF-MS and HPLC-QTOF-MS/MS for
Pesticide Residues Analysis in Fruit and Vegetable Matrices 1
Carmen Ferrer, Octavio Malato, Ana Agüera, and Amadeo
R. Fernandez-Alba
1. Introduction and Scope 1
2. Advantages of the Accurate Mass 4
3. Accurate Mass Databases and Automatic Searching 12
4. Applications of HPLC-TOF-MS for Multiresidue Analysis of
Pesticides in Fruits and Vegetables 18
4.1 Target Analysis 18
4.2 Nontarget Analysis 30
5. Multiresidue Methods Based on Sequential TOF-MS and
QTOF-MS/MS. 44
6. Conclusions and Future Trends 55
Acknowledgments 56
References 56
2. Chemical Evaluation of Water Treatment Processes
by LC-(Q)TOF-MS: Identification of Transformation
Products 61
Ana Agüera, María del Mar Gómez Ramos, and Amadeo R.
Fernández-Alba
1. Introduction 61
2. TPs in Wastewater Treatments 64
2.1 Sampling and Sample Preparation 64
2.2 Chromatographic Separation 66
2.3 Identification and Structural Elucidation 76
3. Strategies for Identification and Structural Elucidation of
TPs by LC-(Q)TOF-MS: Practical Aspects 78
3.1 Calculation of the Elemental Composition 81
3.2 Use of Fragmentation Pathways 84
3.3 Isotope Abundance Measurements 89
xi
Contents
4. Selected Applications of LC-(Q)TOF-MS in Water
Treatment Processes: Transformation Pathways 90
4.1 Biological Treatments 90
4.2 Ozonation and Advanced Oxidation Processes 92
5. Conclusions 101
Acknowledgments 102
References 102
3. Selected Applications of Accurate Mass Determinations
Using LC-TOF for Toxic Compounds in Products of
Animal Origin 111
Perry Martos and Heather McCormick
1. Accurate Mass Determinations 111
1.1 Data Interpretation 119
1.2 Additional Statistical Tests 120
1.3 Conclusions 122
2. Case Study 1: Injectable Solution of Oxytetracycline
Contaminated with a Suspect Sulfonamide 122
2.1 Experimental 124
2.2 Results 126
2.3 Conclusions 149
3. Case Study 2: Green-Eyed Dog and Rhodamine Dye 153
3.1 Conclusions 157
4. Case Study 3: Thirty-Six Dead Birds and Contaminated Seeds 157
4.1 Method 157
4.2 Results 157
4.3 Conclusions 163
5. Overall Considerations and Conclusions 163
References 165
4. High Mass Resolution Versus MS/MS 169
Anton Kaufmann
1. Introduction 169
1.1 A Personal Experience 169
2. Basic Principle of Modern HRMS Instruments 172
2.1 Time of Flight 172
2.2 Orbitrap 174
3. Selectivity 178
3.1 Selectivity Requirements for Residue Analysis 1 78
3.2 Isobaric Interferences a HRMS Problem 179
3.3 Which HRMS Resolution Provides MS/MS Selectivity? 182
3.4 The Price to be Paid for High Mass Resolution 186
3.5 Reported LC-MS Selectivity Limitations 188
3.6 The Need for Higher Selectivity MS/MS Instrumentation 189
Contents ( xiii )
4. Sensitivity 190
4.1 Comparing MS/MS to HRMS Sensitivity 190
4.2 Orbitrap- and TOF-Specific Sensitivity Issues 191
4.3 Different Characteristics of Analog Versus Digital
Detector Noise 192
5. Quantitative Performance 192
5.1 General Quantification Performance 192
5.2 Orbitrap-Specific Suppression Effects 193
5.3 Comparing HRMS Versus MS/MS Quantification
Performance 195
6. Confirmation 197
6.1 False Positive and False Negative Findings by MS/MS 197
6.2 Comparing HRMS to MS/MS Confirmatory Performance 200
6.3 Confirmation Based on Nonprecursor Selected Ion Ratio 200
6.4 Possibilities and Limitations of Current HRMS-Based
Confirmation Techniques 202
7. Identification of Unknowns 203
7.1 Importance of Accurate Masses and Isotopic Abundances 203
7.2 Detecting Specific Moieties or Atoms by HRMS 205
8. Comprehensiveness of Detection 209
9. Conclusion 210
References 213
5. Time-of-Flight Mass Spectrometry Versus Orbitrap-Based
Mass Spectrometry for the Screening and Identification
of Drugs and Metabolites: Is There a Winner? 217
Peter Eichhorn, Sandra Pérez, and Damià Barceló
1. Introduction (The Race) 217
2. Fundamentals and Characteristics of Orbitrap Technology
(Presentation of the Challenger) 218
3. From Theory to Practice (Track-and-Field Championship) 222
3.1 Environmental Analysis (Exercising in a Pristine World?) 222
3.2 Food Analysis (Meeting the Nutritional Needs of the
Contestants) 232
3.3 In Vitro Drug Metabolism Studies (Inside the
Athlete s Body) 243
3.4 Doping Control and Forensic Drug Screening
(Checking for Unfair Competition) 254
4. Conclusions (Award Ceremony: The Winner Is...) 263
References 267
6. Electrospray Operational Parameters in TOF-MS 273
Thomas Glauner and A. Paul Zavitsanos
1. Introduction
2. Theory
273
274
C xiv ~) Contents
2.1 Fundamentals of a TOF Analyzer 274
2.2 Reference Mass Correction 277
2.3 Sample and Reference Mass Introduction and Ionization 278
3. Experimental 280
3.1 Instrumental Parameters 280
3.2 Optimization of Agilent Jet Stream Parameters for
Pesticide Analysis 281
3.3 Optimization of Reference Mass Introduction for
Samples with Complex Matrices 282
4. Results and Discussion 283
4.1 Optimization of Agilent Jet Stream Parameters 283
4.2 Optimization of Reference Mass Introduction for Samples
with Complex Matrices 290
4.3 Pesticide Screening in Complex Matrices Under
Optimized Conditions 295
5. Summary and Conclusion 301
Acknowledgments 303
References 303
7. MALDI-TOF MS for Characterization of Synthetic
Polymers in Aqueous Environment 307
Ian Ken D. Dimzon and Thomas P. Knepper
1. Introduction 307
2. General Aspects of MS in Polymer Analysis 309
2.1 MS of Large Molecules 309
2.2 MALDI Process 310
2.3 MALDI Sample Preparation 315
2.4 Hyphenation of MALDI and TOF 318
2.5 MALDI-TOF Spectrum 319
2.6 ESI-q as an Alternative Method 321
2.7 Chromatographic Separation Prior to MS 324
3. Illustration: MALDI-TOF MS of Chitosan Oligosaccharide 325
4. Future of MALDI-TOF in Polymer Analysis: Fate and
Degradation Studies 331
Acknowledgment 335
References 335
8. The Potential of Ambient Desorption Ionization Methods
Combined with High-Resolution Mass Spectrometry
for Pesticide Testing in Food 339
Juan F. García-Reyes, Bienvenida Gilbert-López,
Ana Agüera, Amadeo R. Fernández-Alba,
and Antonio Molina-Díaz
1. Introduction
339
Contents
2. Ambient MS Techniques Used for Testing of Pesticides
and Other Contaminant Residues
2.1 DART-MS Applied to Pesticide Testing in Food
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
References
9. Application of GC-TOFMS for Pesticide Residue
Analysis in Grapes
Kaushik Banerjee, Soma Dasgupta, and Sagar C. Utture
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
5. Comparative Appraisal of S/N in 1D (GC-TOFMS) with 2D
(GC x GC-TOFMS)
6. Application of the Optimized GC x GC-TOFMS Method for
Residue Monitoring in Grapes
7. Application of the Optimized GC x GC-TOFMS Method for
Residue Monitoring in Wine
8. Screening for Nontarget Analytes
9. Evaluation of GC x GC-TOFMS vis-à-vis GC-MS/MS
10. Conclusion and Future Perspectives
Acknowledgment
References
Subject Index
QD
342
345
360
362
363
363
363
36 7
367
370
371
372
373
373
375
375
376
394
396
398
402
404
409
410
412
415
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| id | DE-604.BV040402370 |
| illustrated | Illustrated |
| indexdate | 2024-12-24T02:49:24Z |
| institution | BVB |
| isbn | 9780444538109 |
| language | English |
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| physical | XXII, 428 S. Ill., graph. Darst. |
| publishDate | 2012 |
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| publisher | Elsevier |
| record_format | marc |
| series | Comprehensive analytical chemistry |
| series2 | Comprehensive analytical chemistry |
| spellingShingle | Fernández-Alba, Amadeo R. TOF-MS within food and environmental analysis Comprehensive analytical chemistry Umweltanalytik (DE-588)4282985-9 gnd Lebensmittelanalyse (DE-588)4167032-2 gnd Flugzeitmassenspektrometrie (DE-588)4368444-0 gnd |
| subject_GND | (DE-588)4282985-9 (DE-588)4167032-2 (DE-588)4368444-0 |
| title | TOF-MS within food and environmental analysis |
| title_auth | TOF-MS within food and environmental analysis |
| title_exact_search | TOF-MS within food and environmental analysis |
| title_full | TOF-MS within food and environmental analysis Amadeo R. Fernandez-Alba |
| title_fullStr | TOF-MS within food and environmental analysis Amadeo R. Fernandez-Alba |
| title_full_unstemmed | TOF-MS within food and environmental analysis Amadeo R. Fernandez-Alba |
| title_short | TOF-MS within food and environmental analysis |
| title_sort | tof ms within food and environmental analysis |
| topic | Umweltanalytik (DE-588)4282985-9 gnd Lebensmittelanalyse (DE-588)4167032-2 gnd Flugzeitmassenspektrometrie (DE-588)4368444-0 gnd |
| topic_facet | Umweltanalytik Lebensmittelanalyse Flugzeitmassenspektrometrie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=025255536&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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