Applications of Time-of-Flight and Orbitrap Mass Spectrometry in Environmental, Food, Doping, and Forensic Analysis

Applications of Time-of-Flight and Orbitrap Mass Spectrometry in Environmental, Food, Doping, and Forensic Analysis

by Elsevier Science


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Applications of Time-of-Flight and Orbitrap Mass Spectrometry in Environmental, Food, Doping, and Forensic Analysis by Elsevier Science

Applications of Time-of-Flight and Orbitrap Mass Spectrometry in Environmental, Food, Doping, and Forensic Analysis deals with the use of high-resolution mass spectrometry (MS) in the analysis of small organic molecules. Over the past few years, time-of-flight (ToF) and Orbitrap MS have both experienced tremendous growth in a great number of analytical sectors and are now well established in many laboratories where high requirements are placed on analytical performance.

This book gives a head-to-head comparison of these two technologies that compete directly with each other. As users with hands-on experience in both techniques, the authors provide a balanced description of the strengths and weaknesses of both techniques. In the vast majority of cases, ToF-MS and Orbitrap-MS have been used for qualitative purposes, mainly identification of discrete molecular entities such as drug metabolites or transformation products of environmental contaminants.

This paradigm is now changing as quantitative capabilities are increasingly being explored, as are non-target approaches for unbiased broad-scope screening. In view of the continuous innovation of high-resolution MS instrument manufacturers in designing and developing more powerful machines, technological advances in both hardware and software are considerable, with many novel applications.

This book summarizes and analyzes these trends. The compilation of selected examples from diverse analytical fields will allow the readers to discover not only the potential of high-resolution MS in their sector, but also shows advances in other fields that rely on hi-res MS.

  • Provides comprehensive coverage of applications of time-of-flight and orbitrap mass spectrometry in environmental, food, doping, and forensic analysis
  • Explores a variety of specialized techniques, giving a balanced description of the strengths and weaknesses of each
  • Presents a general overview of imaging techniques within analysis

Product Details

ISBN-13: 9780444635723
Publisher: Elsevier Science
Publication date: 06/17/2016
Series: Comprehensive Analytical Chemistry , #71
Pages: 524
Product dimensions: 6.20(w) x 9.10(h) x 1.20(d)

About the Author

Dr. Sandra Pérez Solsona, (80 publications and 17 book chapters; H-index=27), Barcelona (Spain). Since May 2005, research associate at the Institute of Environmental Assessment and Water Research IDÆA-CSIC in Barcelona (Spain). She has a Ph.D. in Chemistry from the University of Barcelona (2003). Postdoctoral researcher at the State University of New York at Buffalo (2003-2005). Her work is focused on studying the occurrence, distribution and degradation of pollutants in the aquatic environment. Use of advanced mass spectrometry techniques such as the hybrid techniques UPLC-QToF-MS and UPLC-QExactive-MS, for the structural elucidation of novel transformation products and metabolites of organic pollutants. She uses suspect screening and non-target approaches based on high resolution MS for the detection of polar emerging contaminants and for assessing their elimination and transformation in both natural processes and engineered systems. She has been involved in different EU projects (EMCO, SANDRINE and GLOBAQUA), NSF projects in EEUU and Spanish national projects (CEMAGUA and SCARCE). Principal investigator of CSI-Environment (Marie Curie Actions ITN CSI:Environment PITN-GA-2010-264329).

Peter Eichhorn studied chemistry at the University of Braunschweig and received his Ph.D. at the University of Mainz in 2001 for his work on the fate of surfactants in the aquatic environment. He was a postdoctoral research fellow at the IIQAB-CSIC (Barcelona) and at the State University of New York (Buffalo) investigating degradation pathways of organic contaminants in the environment (2001-2005). After a short spell as a researcher at the IIBB-CSIC (Barcelona) with a focus in proteomics, he eventually moved to the pharmaceutical industry (2006) as research scientist in the area of drug metabolism and pharmacokinetics. He currently holds the position of an expert scientist in the ADME group of an international company. Over the years he has considerably built up experience and expertise in the use of mass spectrometric techniques for structural elucidation.

Prof. dr. Barcelo Damia, Director of the Catalan Institute for Water Research (ICRA) and Professor at the Institute of Environmental Assessment and Water Research (IDAEA), Barcelona, Spain. His expertise is in water quality assessment and management, fate, risk and removal of emerging contaminants in wastewater treatment plants and analysis, fate and risk of emerging contaminants and nanomaterials in the aquatic environment. He published over 900 papers, 200 book chapters and has h index 91. He was a coordinator of several national and EU projects and at the moment he coordinates two EU projects: GLOBAQUA , on multiple stressors in the aquatic environment and SEA-on-a-CHIP, on the development of sensor technolgies for emerging contamaints in marine aquaculture. He is CoEditor in Chief of the journal Science of Total Environment and the book series Comprehensive Analytical Chemistry, both form Elsevier..

Table of Contents


  1. Orbitrap Mass Spectrometry: Evolution and Applicability
  2. Claudia P.B. Martins, Maciej Bromirski, Mari C. Prieto Conaway and Alexander A. Makarov

  3. Advances in Time of Flight Mass Spectrometry
  4. John C. Fjeldsted

  5. Ambient Ionization-High Resolution Mass Spectrometry: Environmental, Food, Forensic and Doping Analysis.
  6. Raquel Seró, Óscar Núñez and Encarnación Moyano

    Target Analysis, Identification, and Suspect Screening

  7. High Resolution Mass Spectrometry in Doping Control
  8. Georgina Balcells, Oscar J. Pozo and Rosa Ventura

  9. Application of LC-Time of Flight and Orbitrap-MS/MS for Pesticide Residues in Fruits and Vegetables
  10. Łukasz Rajski, María del Mar Gómez Ramos and Amadeo R. Fernández-Alba

  11. Identification of Sildenafil Designer Analogues Found in Dietary Supplements
  12. Xiaowei Ge, Chee-Leong Kee, Yun Zeng and Min-Yong Low

  13. High-Resolution Mass Spectrometry in Metabolite Identification
  14. Mayurbhai Kathadbhai Ladumor, Shristy Tiwari, Amol Patil, Krishna Bhavsar, Shalu Jhajra, Bhagwat Prasad and Saranjit Singh

  15. LC-TOF-MS for the Identification of Environmental Metabolites and Degradation Products
  16. Imma Ferrer, Jeffrey H. Writer, Olya S. Keen, Yaal Lester, Juan A. Padilla-Sánchez, Carolina Fernández-Ramos and E. Michael Thurman

  17. Application of Orbitrap Mass Spectrometry for the Identification of Transformation Products of Trace Organic Contaminants Formed in the Environment
  18. Carsten Prasse and Thomas A. Ternes

  19. High Resolution-Mass Spectrometry Identification of Micropollutants Transformation Products Produced During Water Disinfection with Chlorine and Related Chemicals
  20. Iria González-Mariño, Inmaculada Carpinteiro, Rosario Rodil, Isaac Rodríguez and José Benito Quintana

  21. Discovery of New Emerging DBPs by High Resolution Mass Spectrometry
  22. Susan D. Richardson and Cristina Postigo

  23. Suspect Screening of Pharmaceuticals and Related Bioactive Compounds, Their Metabolites and Their Transformation Products in the Aquatic Environment, Biota and Humans Using LC-HR-MS Techniques
  24. Jaume Aceña, Nubia Heuett, Piero Gardinali and Sandra Pérez

    Non-Target Analysis

  25. Non-Target Analysis of Environmental Samples Based on Liquid Chromatography Coupled to High Resolution Mass Spectrometry (LC-HRMS)
  26. Pablo Gago-Ferrero, Emma L. Schymanski, Juliane Hollender and Nikolaos S. Thomaidis

  27. Non-Targeted Analysis of Persistent Organic Pollutants by Mass Spectrometry and GC×GC
  28. Xavier Ortiz Almirall, Miren Pena Abaurrea, Karl J. Jobst and Eric J. Reiner

  29. High Resolution Mass Spectrometry in the Effect-Directed Analysis of Water Resources
  30. Martin Krauss


  31. Conclusions and Future Directions Peter Eichhorn and Sandra Pérez

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