Mass Spectrometry for Food Analysis (Methods and Protocols in Food Science)

Series Preface\nPreface\nContents\nContributors\nPart I: Consolidated MS-Based Techniques\n	Chapter 1: Mass Fingerprinting for High-Throughput Analyses of Food: Authentication and Quality Control\n		1 Introduction\n		2 Materials\n			2.1 Biological Material\n			2.2 DLI-ESI  MS\n				2.2.1 Sample Preparation\n				2.2.2 Mass Analyzer\n			2.3 LTP  MS\n				2.3.1 Sample Preparation\n				2.3.2 Desorption/Ionization Probe\n				2.3.3 Sampling Platform\n				2.3.4 Mass Analyzer\n			2.4 MALDI-ToF  MS\n				2.4.1 Sample and Matrix Preparation\n				2.4.2 Mass Analyzer\n			2.5 Leaf Spray  MS\n				2.5.1 Sample Preparation\n				2.5.2 Sampling Platform\n				2.5.3 Mass Analyzer\n		3 Methods\n			3.1 DLI-ESI  MS\n				3.1.1 Sample Preparation\n				3.1.2 Metabolite Extraction\n				3.1.3 Analytical Procedure\n			3.2 LTP  MS\n				3.2.1 Sample Preparation: Solids\n				3.2.2 Sample Preparation: Liquids\n				3.2.3 Analytical Procedure\n			3.3 MALDI-ToF  MS\n				3.3.1 Sample Extraction\n				3.3.2 Sample and Matrix Preparation\n				3.3.3 Analytical Procedure\n			3.4 Leaf Spray  MS\n				3.4.1 Sample Preparation\n				3.4.2 Analytical Procedure\n			3.5 Data Analysis\n				3.5.1 Mass Spectra Visualization\n				3.5.2 Data Pre-processing\n				3.5.3 Statistical Analysis and Visualization\n					Heatmap and Hierarchical Clustering Analysis (HCA)\n					Principal Component Analysis\n				3.5.4 Data Mining: Random Forest\n		4 Notes\n		References\n	Chapter 2: MALDI-MS Application for Food Control\n		1 Introduction\n		2 Materials and Protocols\n			2.1 Materials\n			2.2 Sample Preparation\n			2.3 MALDI-MS\n		3 Notes\n		References\n	Chapter 3: MALDI-TOF-Mass Spectrometry: Sample Preparation Protocols for Meat and Milk Products\n		1 Introduction\n		2 Materials\n		3 Methods\n			3.1 Protocol for Meat Products\n				3.1.1 Samples\n				3.1.2 Extraction\n				3.1.3 Measurement\n			3.2 Protocol for Milk Products\n				3.2.1 Samples\n				3.2.2 Separation of Fat (for Milk) (see Note 10)\n				3.2.3 Separation of Fat (for Butter Plasm)\n				3.2.4 Precipitation of Casein\n				3.2.5 Separation of Casein and  Whey\n				3.2.6 Washing\n				3.2.7 Organic Solvent Extraction Procedure (with Spatula)\n				3.2.8 Measurement\n		4 Notes\n		References\n	Chapter 4: Comprehensive Identification of Plant Polyphenols by LC-MS\n		1 Introduction\n		2 Materials\n			2.1 Chemicals\n			2.2 Mobile Phases\n			2.3 LC-MS Materials\n			2.4 Software\n		3 Methods\n			3.1 Extract Solution Preparation\n			3.2 LC Method\n			3.3 MS Method\n			3.4 Data Conversion\n			3.5 Peak Detection\n			3.6 Compound Identification\n		4 Notes\n		References\n	Chapter 5: Quantitative Determination of Antioxidant Compounds in Fruits Using Liquid Chromatography Tandem Mass Spectrometry\n		1 Introduction\n		2 Materials\n			2.1 Equipment\n			2.2 Supplies and Chromatography Accessories\n			2.3 Chemicals, Solvents, and Gases\n			2.4 Standard Solutions and Mobile Phase\n			2.5 Samples\n		3 Methods\n			3.1 LC-MS/MS Analysis\n			3.2 Sample Preparation\n				3.2.1 Extraction\n			3.3 Data Processing\n		4 Notes\n		References\n	Chapter 6: Development of an Ultraperformance Liquid Chromatography-Mass Spectrometry Method to Determine Sterols in Olive Oils\n		1 Introduction\n		2 Materials\n			2.1 Olive Oil Saponification\n			2.2 Liquid-Liquid Extraction of the Non-saponifiable Fraction\n			2.3 Separation of the Sterol Fraction\n			2.4 Sterol Standard Stocks\n			2.5 UPLC-MS Analysis\n		3 Methods\n			3.1 Oil Saponification\n			3.2 Liquid-Liquid Extraction of the Non-saponifiable Fraction\n			3.3 Separation of the Sterol Fraction\n			3.4 UPLC-MS Analysis\n		4 Notes\n		References\n	Chapter 7: A Workflow for Lipid Annotation in Coffee Samples by Liquid Chromatography-Mass Spectrometry\n		1 Introduction\n		2 Materials\n			2.1 Equipments\n			2.2 Reagents\n			2.3 Coffee Samples\n			2.4 Supplies\n			2.5 LC and Sample Solvents\n		3 Methods\n			3.1 Lipid Extraction\n			3.2 LC-HRMS/MS Analysis\n			3.3 LC-HRMS/MS Data Analysis\n				3.3.1 Data Analysis of .Raw Files on Xcalibur Qual Browser\n				3.3.2 LC-HRMS/MS Data Processing Using the MS-DIAL Software\n					Conversion of .Raw Files to an Analysis Base File (ABF)\n					Starting a Project in MS-DIAL Software\n					Data Processing\n						Lipid Annotation in Positive Ion Mode\n						Lipid Annotation in Negative Ion Mode\n		4 Notes\n		References\n	Chapter 8: A Novel HPLC-Based Method with LC-Electrospray MS for Analysis of Polyethylene Glycol in Various Foods\n		1 Introduction\n		2 Materials\n			2.1 Chemicals\n			2.2 Supplies\n			2.3 Instruments\n				2.3.1 Analytical Instrument\n				2.3.2 General Instrument\n		3 Methods\n			3.1 Quantitative Analysis of PEG in Foods\n				3.1.1 Preparation of Analytical Standards\n				3.1.2 Extraction of PEG from Food\n					Liquid Food\n					High-Fat Food\n					Other Food\n				3.1.3 Transfer the Extract to the Sample Vial\n				3.1.4 HPLC Analysis\n			3.2 Qualitative Analysis of PEG in Foods\n				3.2.1 LC-ESI-MS/MS Analysis\n		4 Notes\n		References\n	Chapter 9: Application of UHPLC-HRMS/MS for the Analysis of Beta-Casomorphin 5 and 7 in Milk\n		1 Introduction\n		2 Materials\n			2.1 Stock Standard Solutions\n			2.2 Working Standard Solutions\n			2.3 Calibration Standard Solutions\n			2.4 Methanol (MeOH), HPLC Grade\n			2.5 Methanol Solution, c(MeOH) = 10% (v/v)\n			2.6 Formic Acid, Purity 99%\n			2.7 Methanol Containing 0.1% Formic Acid (v/v)\n			2.8 Ultra-Pure Water Containing 0.1% Formic Acid (v/v)\n		3 Methods\n			3.1 Extraction of Beta-Casomorphin 5/7\n			3.2 Instrumental Analysis of β-CM5/7\n		4 Notes\n		References\n	Chapter 10: Identification of Oligopeptides by Ultra-High-Pressure Liquid Chromatography Coupled with Quadrupole-Orbitrap Ultr...\n		1 Introduction\n		2 Materials\n		3 Methods\n			3.1 Oligopeptide Isolation from Tea Samples\n			3.2 Generate Analytical Method  File\n			3.3 Sample Analysis\n			3.4 Oligopeptide Identification\n			3.5 Oligopeptide Validation and Quantification by Triple-Quadrupole-Mass Spectrometry\n		4 Notes\n		References\n	Chapter 11: Database Construction Strategies for Proteome Measurement of Novel Food Ingredients\n		1 Introduction\n		2 Materials\n			2.1 Bioinformatic Analysis\n		3 Methods\n			3.1 LC-MS/MS Data Acquisition\n			3.2 Database Building\n			3.3 UniProt Knowledgebase (UniProt-KB) (https://www.uniprot.org/):\n			3.4 National Center for Biotechnology Information Nonredundant Database (NCBI) (https://www.ncbi.nlm.nih.gov/)\n		4 Protein/Peptide Identification\n		5 Notes\n		References\n	Chapter 12: Lipidomics Study of Fishes Using Hydrophilic Interaction Chromatography and Mass Spectrometry\n		1 Introduction\n		2 Materials\n			2.1 Equipment\n			2.2 Reagents\n			2.3 Supplies\n		3 Methods\n			3.1 Sample Extraction\n			3.2 HPLC Solvents\n			3.3 HPLC-MS Data Acquisition\n			3.4 Date Analysis and Interpretation\n		4 Notes\n		References\n	Chapter 13: Detection of Aroma Compounds in Food by Gas Chromatography-Mass Spectrometry/Olfactometry\n		1 Introduction\n		2 Materials\n			2.1 Basic Laboratory Equipment, Consumables, and Chemicals\n			2.2 Instruments for Gas Chromatography-Olfactometry (GC-O) and Gas Chromatography-Mass Spectrometry/Olfactometry (GC-MS/O)\n		3 Methods\n			3.1 Sample Preparation\n				3.1.1 Solvent Extraction\n				3.1.2 Solvent-Assisted Flavor Evaporation\n				3.1.3 Distillation and Micro-Distillation\n			3.2 Gas Chromatography-Olfactometry (GC-O) and Aroma Extract Dilution Analysis (AEDA)\n			3.3 Gas Chromatography-Mass Spectrometry/Olfactometry (GC-MS/O)\n			3.4 Evaluation\n		4 Notes\n		References\n	Chapter 14: Solid-Phase Microextraction and Comprehensive Two-Dimensional Gas Chromatography for Food Analysis\n		1 Introduction\n		2 Materials\n		3 Methods\n			3.1 HS-SPME Procedure for Coffee Analysis\n			3.2 HS-SPME Procedure for Hop Analysis\n			3.3 GC x GC-QMS Method\n			3.4 Data Processing\n			3.5 DoE: Central Composite Design\n		4 Notes\n		References\n	Chapter 15: Identification of Lactic Acid Bacteria in Food Matrices by High-Resolution Nano-LC-ESI MS/MS\n		1 Introduction\n		2 Materials\n			2.1 Bacterial Cell Cultures\n			2.2 Protein Extraction, Precipitation, and Quantification\n			2.3 Reduction, Alkylation, and Tryptic Digestion\n			2.4 LC-MS/MS Analysis\n			2.5 Data Analysis\n		3 Methods\n			3.1 Bacterial Cell Culture\n			3.2 Extraction of Proteins from Bacterial Cells\n			3.3 Disulfide Reduction/Alkylation and Tryptic Digestion\n			3.4 High-Resolution Nano-LC-Tandem Mass Spectrometry Analysis\n			3.5 Data Processing\n			3.6 Proteotypic Markers Selection for LAB Characterization in Food Matrices\n		4 Notes\n		References\nPart II: Emerging MS-Based Techniques\n	Chapter 16: Acetylcholinesterase (ACHE) and α-Glucosidase Inhibitory Assay by Effect-Directed Analysis on High Performance Thi...\n		1 Introduction\n		2 Materials\n		3 Method\n		References\n	Chapter 17: Application of Paper Spray Ionization for Preliminary Amazonian Berry Fruits Components Identification\n		1 Introduction\n		2 Materials\n			2.1 Equipment\n			2.2 Reagents\n			2.3 Supplies\n		3 Methods\n			3.1 Sample Preparation\n			3.2 Paper Spray (PS) Analysis\n			3.3 Data Processing and Interpretation\n		4 Notes\n		References\n	Chapter 18: Analysis of Food Components by MALDI Imaging Mass Spectrometry: Sample Preparation for Identification of Peptides ...\n		1 Introduction\n			1.1 Sample Preparation Analytical Workflow Prior to MALDI IMS Experiment\n				1.1.1 Preservation of Tissue Morphology: Tissue Embedding and Cutting Steps Followed by Mounting of Cryo-Section on Glass Slide\n				1.1.2 Removal of Interfering Compounds: Washing of Mounted Tissue Cryo-Section\n				1.1.3 Application of MALDI Matrix\n		2 Materials\n			2.1 Embedding of Dry-Cured Ham\n			2.2 Cryostat Sectioning and ITO Glass Slide Mounting\n			2.3 Washing of Mounted Cryo-Sections\n			2.4 MALDI Matrix Application and Recrystallization\n			2.5 MALDI IMS Measurement\n		3 Methods\n			3.1 Embedding of Dry-Cured Ham\n			3.2 Cryostat Sectioning and ITO Glass Slide Mounting\n			3.3 Washing of Mounted Cryo-Sections\n			3.4 MALDI Matrix Application and Recrystallization\n			3.5 MALDI IMS Measurement\n		4 Notes\n		References\n	Chapter 19: Modern Tools in Food Chemical Characterization Using Mass Spectrometry Data and Molecular Networking: Revisiting t...\n		1 Introduction\n		2 Materials\n			2.1 Sample Preparation: Crude Extracts\n			2.2 Acquiring Mass Spectra, File Preparation, and Analysis\n		3 Methods\n			3.1 Sample Preparation: Crude Extracts\n			3.2 Acquiring Mass Spectra and MS Data File Preparation\n			3.3 Classical Molecular Networking (MN)\n		4 FBMN Analysis\n		5 MolNetEnhancer Analysis\n		6 GNPS Clusters Annotations\n		7 Notes\n		References\n	Chapter 20: Traveling Wave Ion Mobility-Mass Spectrometry to Address Chemical Food Safety Issues\n		1 Introduction\n		2 Materials\n			2.1 Reagents\n			2.2 Samples\n			2.3 Labware\n			2.4 Equipment\n			2.5 Data Generation and Processing\n		3 Methods\n			3.1 Sample Preparation\n			3.2 TWIM-MS Parameters: Tuning and Calibration\n			3.3 LC System Setup\n			3.4 Data Acquisition\n			3.5 Data Processing\n		4 Notes\n		References\n	Chapter 21: Determination Method of Acrylamide in Beverages and Foods by Supercritical Fluid Chromatography/Tandem Mass Spectr...\n		1 Introduction\n		2 Materials\n			2.1 Chemicals\n			2.2 Standard Solutions and Mobile Phase\n			2.3 SFC/MS/MS\n			2.4 Samples\n		3 Methods\n			3.1 MS/MS Parameter Optimization\n			3.2 Sample Preparation\n				3.2.1 Beverage sample\n				3.2.2 Confectionery and Grain Samples\n			3.3 Standard Preparation\n			3.4 SFC/MS/MS Analysis\n			3.5 Data Processing\n		4 Notes\n		References\n	Chapter 22: Application of Bubbling Extraction Coupled to Gas Chromatography Mass Spectrometry in Food Analysis\n		1 Introduction\n		2 Materials\n			2.1 Equipment and Supplies\n			2.2 Solvents and Chemical Reagents\n			2.3 Software\n		3 Methods\n			3.1 Prepare Apparatus\n			3.2 PAHs Analysis\n			3.3 Volatiles in Real Samples\n			3.4 Metallic Element Analysis\n			3.5 Inorganic Anion Capture\n		4 Notes\n		References\n	Chapter 23: Aroma Analysis by Proton Transfer Reaction-Mass Spectrometry\n		1 Introduction\n		2 Materials\n			2.1 Laboratory Equipment\n			2.2 Gas Supplies\n			2.3 Instrumentation\n				2.3.1 Operating Requirements and Maintenance\n				2.3.2 Operating Parameters\n				2.3.3 Measurement Parameters\n			2.4 Optional Equipment\n		3 Methods\n			3.1 Sample Preparation\n			3.2 Dynamic Headspace Analysis\n			3.3 High-Throughput Static Headspace Analysis\n			3.4 Nosespace Analysis\n		4 Notes\n		References\nIndex