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Metabolomic Strategies Involving Mass Spectrometry Combined with Liquid and Gas Chromatography

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Metabolomics: From Fundamentals to Clinical Applications

Part of the book series: Advances in Experimental Medicine and Biology ((PMISB,volume 965))

Abstract

Amongst all omics sciences, there is no doubt that metabolomics is undergoing the most important growth in the last decade. The advances in analytical techniques and data analysis tools are the main factors that make possible the development and establishment of metabolomics as a significant research field in systems biology. As metabolomic analysis demands high sensitivity for detecting metabolites present in low concentrations in biological samples, high-resolution power for identifying the metabolites and wide dynamic range to detect metabolites with variable concentrations in complex matrices, mass spectrometry is being the most extensively used analytical technique for fulfilling these requirements. Mass spectrometry alone can be used in a metabolomic analysis; however, some issues such as ion suppression may difficultate the quantification/identification of metabolites with lower concentrations or some metabolite classes that do not ionise as well as others. The best choice is coupling separation techniques, such as gas or liquid chromatography, to mass spectrometry, in order to improve the sensitivity and resolution power of the analysis, besides obtaining extra information (retention time) that facilitates the identification of the metabolites, especially when considering untargeted metabolomic strategies. In this chapter, the main aspects of mass spectrometry (MS), liquid chromatography (LC) and gas chromatography (GC) are discussed, and recent clinical applications of LC-MS and GC-MS are also presented.

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Abbreviations

AMDIS:

Automated Mass Spectra Deconvolution and Identification System

APCI:

Atmospheric pressure chemical ionisation

APPI:

Atmospheric pressure photoionisation

BSTFA:

N,O-bis-(trimethylsilyl)-trifluoroacetamide

CE:

Capillary electrophoresis

CI:

Chemical ionisation

DB-5MS:

Equivalent to a (5 %-phenyl)-methylpolysiloxane

DC:

Direct current

DIMS:

Direct infusion mass spectrometry

EI:

Electron ionisation

ERHILIC:

Electrostatic repulsion hydrophilic interaction chromatography

ESI:

Electrospray ionisation

FTICR:

Fourier transform ion cyclotron resonance

FTMS:

Fourier transform mass spectrometry

FWHM:

Full-width half-maximum

GC:

Gas chromatography

GC-MS:

Gas chromatography mass spectrometry

GCxGC:

Comprehensive two-dimensional gas chromatography

HILIC:

Hydrophilic interaction liquid chromatography

IT:

Ion trap

LC:

Liquid chromatography

LSER:

Linear solvation energy relationship

MS:

Mass spectrometry

MSTFA:

N-methyl-N-(trimethylsilyl)-trifluoroacetamide

MTBSTFA:

N-methyl-N-tertbutyldimethylsilyltrifluoroacetamide

NIST:

National Institute of Standards and Technology

NPLC:

Normal-phase liquid chromatography

OT:

Orbitrap

Q:

Quadrupole

QIT:

Quadrupole ion trap

QqQ:

Triple quadrupole

QTOF:

Quadrupole time of flight

RF:

Radio frequency

RPLC:

Reverse-phase liquid chromatography

RTL:

Runtime library

SIM:

Single-ion monitoring

SRM:

Selected reaction monitoring

THF:

Tetrahydrofuran

TOF:

Time of flight

UPLC:

Ultra-performance liquid chromatography

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Authors and Affiliations

  1. Department of Exact and Earth Sciences, Federal University of São Paulo (UNIFESP), Diadema, SP, Brazil

    Aline Soriano Lopes & Aline Klassen

  2. Laboratory of Bioanalytics and Integrated Omics (LaBIOmics), University of Campinas (UNICAMP), Campinas, SP, Brazil

    Elisa Castañeda Santa Cruz & Alessandra Sussulini

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  1. Aline Soriano Lopes
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  2. Elisa Castañeda Santa Cruz
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  3. Alessandra Sussulini
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  4. Aline Klassen
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Correspondence to Aline Klassen .

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  1. University of Campinas (UNICAMP) Institute of Chemistry Laboratory of Bioanalytics and Integrated Omics (LaBIOmics), Campinas, Brazil

    Alessandra Sussulini

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Lopes, A.S., Cruz, E.C.S., Sussulini, A., Klassen, A. (2017). Metabolomic Strategies Involving Mass Spectrometry Combined with Liquid and Gas Chromatography. In: Sussulini, A. (eds) Metabolomics: From Fundamentals to Clinical Applications. Advances in Experimental Medicine and Biology(), vol 965. Springer, Cham. https://doi.org/10.1007/978-3-319-47656-8_4

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