Classification of Cola beverages on the basis of mass spectra measured by membrane inlet mass spectrometry

Raimo Ketola, J. Heikkonen, Sulo Piepponen, Frants Lauritsen, Tapio Kotiaho (Corresponding Author)

Research output: Contribution to journalArticleScientificpeer-review

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Abstract

Classification of different cola drinks by membrane inlet mass spectrometry (MIMS) combined with different statistical computing methods is demonstrated. The spectra of cola drinks were measured directly using a single quadrupole mass spectrometer with a hollow fiber membrane inlet in standard MIMS and trap‐and‐release MIMS modes, and the spectra obtained were analyzed by principal component analysis and the mean pairwise difference method, and classified via the k‐NN classifier.
The multivariate calculations showed that cola drinks from different manufacturers can easily be differentiated from one another although the spectra of all drinks are usually very alike with minor differences in the abundances of major ion peaks in the range m/z 50–199. The classification of drinks is rapid as a spectrum of one sample can be obtained in a few minutes.
Original languageEnglish
Pages (from-to)1011-1018
JournalRapid Communications in Mass Spectrometry
Volume12
Issue number15
DOIs
Publication statusPublished - 1998
MoE publication typeA1 Journal article-refereed

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Beverages
Mass spectrometry
Membranes
Mass spectrometers
Principal component analysis
Classifiers
Ions
Fibers

Cite this

Ketola, Raimo ; Heikkonen, J. ; Piepponen, Sulo ; Lauritsen, Frants ; Kotiaho, Tapio. / Classification of Cola beverages on the basis of mass spectra measured by membrane inlet mass spectrometry. In: Rapid Communications in Mass Spectrometry. 1998 ; Vol. 12, No. 15. pp. 1011-1018.
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Classification of Cola beverages on the basis of mass spectra measured by membrane inlet mass spectrometry. / Ketola, Raimo; Heikkonen, J.; Piepponen, Sulo; Lauritsen, Frants; Kotiaho, Tapio (Corresponding Author).

In: Rapid Communications in Mass Spectrometry, Vol. 12, No. 15, 1998, p. 1011-1018.

Research output: Contribution to journalArticleScientificpeer-review

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T1 - Classification of Cola beverages on the basis of mass spectra measured by membrane inlet mass spectrometry

AU - Ketola, Raimo

AU - Heikkonen, J.

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AU - Kotiaho, Tapio

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AB - Classification of different cola drinks by membrane inlet mass spectrometry (MIMS) combined with different statistical computing methods is demonstrated. The spectra of cola drinks were measured directly using a single quadrupole mass spectrometer with a hollow fiber membrane inlet in standard MIMS and trap‐and‐release MIMS modes, and the spectra obtained were analyzed by principal component analysis and the mean pairwise difference method, and classified via the k‐NN classifier. The multivariate calculations showed that cola drinks from different manufacturers can easily be differentiated from one another although the spectra of all drinks are usually very alike with minor differences in the abundances of major ion peaks in the range m/z 50–199. The classification of drinks is rapid as a spectrum of one sample can be obtained in a few minutes.

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