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

被引:90
作者
Cajka, Tomas [1 ]
Riddellova, Katerina [1 ]
Tomaniova, Monika [1 ]
Hajslova, Jana [1 ]
机构
[1] Prague Inst Chem Technol, Dept Food Chem & Anal, Fac Food & Biochem Technol, CR-16628 Prague 6, Czech Republic
关键词
Beer; Authenticity; Traceability; Direct analysis in real time; Mass spectrometry; Multivariate analysis; Metabolomic fingerprinting/profiling; MAGNETIC-RESONANCE-SPECTROSCOPY; OLIVE OIL; H-1-NMR SPECTROSCOPY; PATTERN-RECOGNITION; QUALITY-CONTROL; ORANGE JUICE; AMINO-ACIDS; CZECH; NMR; AUTHENTICATION;
D O I
10.1007/s11306-010-0266-z
中图分类号
R5 [内科学];
学科分类号
1002 ; 100201 ;
摘要
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 a parts per thousand yen95% 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.
引用
收藏
页码:500 / 508
页数:9
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