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TANDEM MASS SPECTROMETRY MOLECULAR CHARACTERIZATION Edited by Ana Varela Coelho and Catarina de Matos Ferraz Franco Tandem Mass Spectrometry: Molecular Characterization Edited by Ana Varela Coelho and Catarina de Matos Ferraz Franco Contributors Alan J Fischman, Xiao-Ming Lu, Ronald Tompkins, Diogo Ribeiro Demartini, Guilherme Sassaki, Lauro Souza, Maria Bronze, Ana Sitoe, Francisca Lopes, Rui Moreira, Ana Varela Coelho, Luigi Silvestro Copyright © 2016 Second Edition All chapters are Open Access distributed under the Creative Commons Attribution 3.0 license, which allows users to download, copy and build upon published articles even for commercial purposes, as long as the author and publisher are properly credited, which ensures maximum dissemination and a wider impact of our publications. However, users who aim to disseminate and distribute copies of this book as a whole must not seek monetary compensation for such service (excluded representatives and agreed collaborations). After this work has been published by authors have the right to republish it, in whole or part, in any publication of which they are the author, and to make other personal use of the work. Any republication, referencing or personal use of the work must explicitly identify the original source. Notice Statements and opinions expressed in the chapters are these of the individual contributors and not necessarily those of the editors or publisher. No responsibility is accepted for the accuracy of information contained in the published chapters. The publisher assumes no responsibility for any damage or injury to persons or property arising out of the use of any materials, instructions, methods or ideas contained in the book. First published May, 2013 second - 2016 ISBN-10: 953-51-1136-1 ISBN-13: 978-953-51-1136-8 Contents Preface VII Section 1 General Aspects 1 Chapter 1 Matrix Effects in Mass Spectrometry Combined with Separation Methods — Comparison HPLC, GC and Discussion on Methods to Control these Effects 3 Luigi Silvestro, Isabela Tarcomnicu and Simona Rizea Savu Chapter 2 A Short Overview of the Components in Mass Spectrometry Instrumentation for Proteomics Analyses 39 Diogo Ribeiro Demartini Section 2 Molecular Characterization by Mass Spectrometry 59 Chapter 3 Contribution of Mass Spectrometry to the Study of Antimalarial Agents 61 Ana Raquel Sitoe, Francisca Lopes, Rui Moreira, Ana Coelho and Maria Rosário Bronze Chapter 4 Mass Spectrometry Strategies for Structural Analysis of Carbohydrates and Glycoconjugates 81 Guilherme L. Sassaki and Lauro Mera de Souza Chapter 5 Tandem MS and NMR: An Efficient Couple for the Characterization of Saponins 117 Rita Laires, Kamila Koci, Elisabete Pires, Catarina Franco, Pedro Lamosa and Ana V. Coelho Chapter 6 Post-Translational Modification Profiling of Burn-Induced — Insulin Resistance and Muscle Wasting 137 Xiao-Ming Lu, Ronald G. Tompkins and Alan J. Fischman Preface Tandem mass spectrometry started as a tool for the structural characterization of simple mo‐ lecular components, presently, this analytical approach is being extensively used for the characterization and quantification of small molecules, and also of complex biomolecules. The expeditious evolution at the instrumentation level and the increasing number of new applications in a variety of fields indicates that a lot should still be expected from this meth‐ odology. This book comprises six chapters divided in two sections, which provides a current review of some general aspects in mass spectrometry and various applications of tandem mass spectrometry in the structural characterization of a diversity of compounds, complementing the previous books in this Tandem Mass Spectrometry series. In the first chapter are descri‐ bed several methods to overcome the matrix effects associated with mass spectrometry and its hyphenated chromatographic methods. The second chapter provides a description of the instrumental components relevant for proteomic applications. The second section includes four chapters on the characterization of antimalarial agents, carbohydrates, glycoconjugates, saponines and on the profiling of post-translational modifications. Thanks are expressed to the contributing authors who provided their competence and lead‐ ership in the specific field attempting to provide comprehensive reviews. Finally, I would like to thank Ms. Iva Simcic, Publishing Process Manager, and other InTech publication staffs for their patience and professional support. Ana Varela Coelho and Catarina de Matos Ferraz Franco Institute of Technology, Chemistry and Biology (ITQB) Mass Spectrometry Lab Portugal Section 1 General Aspects