Metabolomics

, Volume 10, Issue 2, pp 291–301 | Cite as

A new strategy based on real-time secondary electrospray ionization and high-resolution mass spectrometry to discriminate endogenous and exogenous compounds in exhaled breath

  • Christian Berchtold
  • Lukas Meier
  • Robert Steinhoff
  • Renato Zenobi
Original Article

Abstract

Breath is considered to be an easily accessible matrix, whose chemical composition relates to compounds present in blood. Therefore many metabolites are expected in exhaled breath, which may be used in the future for the development of diagnostic methods. In this article, a new strategy to discriminate between exhaled endogenous metabolites and exhaled exogenous contaminants by direct high-resolution mass spectrometry is introduced. The analysis of breath in real-time by secondary electrospray ionization mass spectrometry allows to interpret the origin of exhaled compounds. Exhaled metabolites that originate in the respiratory system show reproducible and significant patterns if plotted in real-time (>1 data point per second). An exhaled metabolite shows a signal that tends to rise at the end of a complete (forced) exhalation. In contrast, exogenous compounds, which may be present in room air, are gradually diluted by the air from the deeper lung and therefore show a trend of falling intensity. Signals found in breath by using this pattern recognition are linked to potential metabolites by comparison with online databases. In addition to this real-time approach, it is also shown how to combine this method with classical analytical methods in order to potentially identify unknown metabolites. Finally exhaled compounds following smoking a cigarette, chewing gum, or drinking coffee were investigated to underline the usefulness of this new approach.

Keywords

Breath analysis Mass spectrometry Secondary electrospray ionization Identification strategy 

Abbreviations

APCI

Atmospheric pressure chemical ionization

Da

Dalton, molecular mass unit g/mol

ECB

Exhaled breath condensate

EI-MS

Electron impact mass spectrometry

HMDB

Human metabolite data base

HPLC

High performance liquid chromatography

MS

Mass spectrometry

PTR-MS

Proton transfer reaction mass spectrometry

SESI

Secondary electrospray ionization

SIFT-MS

Selected ion flow tube mass spectrometry

SPME

Solid phase micro extraction

UPLC

Ultra performance liquid chromatography

Notes

Acknowledgments

We thank the Swiss National Science Foundation for financial support (grant no. K-23K1-122264). Pablo Martinez-Lozano Sinues is acknowledged for critical review of the manuscript. Special thanks goes to the team from the Functional Genomics Center at the University Zürich for the access to their instrument.

Supplementary material

11306_2013_568_MOESM1_ESM.docx (647 kb)
Supplementary material 1 (DOCX 647 kb)

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Copyright information

© Springer Science+Business Media New York 2013

Authors and Affiliations

  • Christian Berchtold
    • 1
  • Lukas Meier
    • 1
  • Robert Steinhoff
    • 1
  • Renato Zenobi
    • 1
  1. 1.Department of Chemistry and Applied BiosciencesETH ZurichZurichSwitzerland

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