Abstract
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 language | English |
|---|---|
| Pages (from-to) | 1011-1018 |
| Journal | Rapid Communications in Mass Spectrometry |
| Volume | 12 |
| Issue number | 15 |
| DOIs | |
| Publication status | Published - 1998 |
| MoE publication type | A1 Journal article-refereed |
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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 journal › Article › Scientific › peer-review
TY - JOUR
T1 - Classification of Cola beverages on the basis of mass spectra measured by membrane inlet mass spectrometry
AU - Ketola, Raimo
AU - Heikkonen, J.
AU - Piepponen, Sulo
AU - Lauritsen, Frants
AU - Kotiaho, Tapio
PY - 1998
Y1 - 1998
N2 - 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.
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.
U2 - 10.1002/(SICI)1097-0231(19980815)12:15<1011::AID-RCM268>3.0.CO;2-X
DO - 10.1002/(SICI)1097-0231(19980815)12:15<1011::AID-RCM268>3.0.CO;2-X
M3 - Article
VL - 12
SP - 1011
EP - 1018
JO - Rapid Communications in Mass Spectrometry
JF - Rapid Communications in Mass Spectrometry
SN - 0951-4198
IS - 15
ER -