Metabolomics

, Volume 7, Issue 4, pp 500–508

Ambient mass spectrometry employing a DART ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition

Authors

  • Tomas Cajka
    • Institute of Chemical Technology Prague, Faculty of Food and Biochemical Technology, Department of Food Chemistry and Analysis
  • Katerina Riddellova
    • Institute of Chemical Technology Prague, Faculty of Food and Biochemical Technology, Department of Food Chemistry and Analysis
  • Monika Tomaniova
    • Institute of Chemical Technology Prague, Faculty of Food and Biochemical Technology, Department of Food Chemistry and Analysis
    • Institute of Chemical Technology Prague, Faculty of Food and Biochemical Technology, Department of Food Chemistry and Analysis
Original Article

DOI: 10.1007/s11306-010-0266-z

Cite this article as:
Cajka, T., Riddellova, K., Tomaniova, M. et al. Metabolomics (2011) 7: 500. doi:10.1007/s11306-010-0266-z

Abstract

A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.

Keywords

BeerAuthenticityTraceabilityDirect analysis in real timeMass spectrometryMultivariate analysisMetabolomic fingerprinting/profiling

Supplementary material

11306_2010_266_MOESM1_ESM.doc (48 kb)
Supplementary material 1 (DOC 47 kb)
11306_2010_266_MOESM2_ESM.doc (30 kb)
Supplementary material 2 (DOC 30 kb)

Copyright information

© Springer Science+Business Media, LLC 2010