61
© Springer Nature B.V. 2020
G. Sindona et al. (eds.), Toxic Chemical and Biological Agents, NATO Science
for Peace and Security Series A: Chemistry and Biology,
https://doi.org/10.1007/978-94-024-2041-8_4
Chapter 4
Fundamentals of Mass SpectrometryBased Metabolomics
Emilio S. Rivera, Marissa A. Jones, Emma R. Guiberson,
and Jeremy L. Norris
Abstract Metabolomics involves the study of a complex and diverse array of compounds that can be thought of as the ultimate end products of the complex systems
that are characteristic of molecular biology. The compounds that constitute the
metabolome are small in size relative to the genome and proteome and include
amino acids, carbohydrates, organic acids, lipids, and nucleotides with a mass less
than 1800 Da. Understanding the role of these metabolites and the way in which
changes in these important molecules impact biological processes has great potential to improve public health through better understanding of disease mechanisms.
A comprehensive understanding of the metabolome will ultimately lead to better
candidate biomarkers and drug targets enabling improvements in patient care.
Metabolomics experiments can be divided primarily into two experimental strategies: targeted and untargeted. This monograph details these two approaches and the
specific considerations for sample preparation, analytical separations, instrumental
considerations, and data analysis that are required in the practice of these important
technologies. Furthermore, selected applications of targeted and untargeted experiments are showcased to demonstrate the role of metabolomics as part of multiomics studies and how metabolites can be spatially mapped in biological systems
using imaging mass spectrometry.
E. S. Rivera · J. L. Norris (*)
Mass Spectrometry Research Center, Vanderbilt University, Nashville, TN, USA
Department of Biochemistry, Vanderbilt University, Nashville, TN, USA
e-mail: emilio.s.rivera@vanderbilt.edu
M. A. Jones · E. R. Guiberson
Mass Spectrometry Research Center, Vanderbilt University, Nashville, TN, USA
Department of Chemistry, Vanderbilt University, Nashville, TN, USA
e-mail: marissa.a.jones@vanderbilt.edu; emma.r.guiberson@vanderbilt.edu
© Springer Nature B.V. 2020
G. Sindona et al. (eds.), Toxic Chemical and Biological Agents, NATO Science
for Peace and Security Series A: Chemistry and Biology,
https://doi.org/10.1007/978-94-024-2041-8_4
Chapter 4
Fundamentals of Mass SpectrometryBased Metabolomics
Emilio S. Rivera, Marissa A. Jones, Emma R. Guiberson,
and Jeremy L. Norris
Abstract Metabolomics involves the study of a complex and diverse array of compounds that can be thought of as the ultimate end products of the complex systems
that are characteristic of molecular biology. The compounds that constitute the
metabolome are small in size relative to the genome and proteome and include
amino acids, carbohydrates, organic acids, lipids, and nucleotides with a mass less
than 1800 Da. Understanding the role of these metabolites and the way in which
changes in these important molecules impact biological processes has great potential to improve public health through better understanding of disease mechanisms.
A comprehensive understanding of the metabolome will ultimately lead to better
candidate biomarkers and drug targets enabling improvements in patient care.
Metabolomics experiments can be divided primarily into two experimental strategies: targeted and untargeted. This monograph details these two approaches and the
specific considerations for sample preparation, analytical separations, instrumental
considerations, and data analysis that are required in the practice of these important
technologies. Furthermore, selected applications of targeted and untargeted experiments are showcased to demonstrate the role of metabolomics as part of multiomics studies and how metabolites can be spatially mapped in biological systems
using imaging mass spectrometry.
E. S. Rivera · J. L. Norris (*)
Mass Spectrometry Research Center, Vanderbilt University, Nashville, TN, USA
Department of Biochemistry, Vanderbilt University, Nashville, TN, USA
e-mail: emilio.s.rivera@vanderbilt.edu
M. A. Jones · E. R. Guiberson
Mass Spectrometry Research Center, Vanderbilt University, Nashville, TN, USA
Department of Chemistry, Vanderbilt University, Nashville, TN, USA
e-mail: marissa.a.jones@vanderbilt.edu; emma.r.guiberson@vanderbilt.edu