In this work, we have carried out a detailed statistical analysis for experimental data of mass spectra from xylene isomers. Principle Component Analysis (PCA) was used to identify the isomers which cannot be distinguished using conventional statistical methods for interpretation of their mass spectra. Experiments have been carried out using a linear TOF-MS coupled to a femtosecond laser system as an energy source for the ionisation processes. We have performed experiments and collected data which has been analysed and interpreted using PCA as a multivariate analysis of these spectra. This demonstrates the strength of the method to get an insight for distinguishing the isomers which cannot be identified using conventional mass analysis obtained through dissociative ionisation processes on these molecules. The PCA results dependending on the laser pulse energy and the background pressure in the spectrometers have been presented in this work.
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25 March 2016
9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9)
24–27 August 2015
Istanbul, Turkey
Research Article|
March 25 2016
Identification of the isomers using principal component analysis (PCA) method
Abdullah Kepceoğlu;
Abdullah Kepceoğlu
1
Selçuk University
, Faculty of Science, Department of Physics, Selcuklu, Konya, Turkey
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Yasemin Gündoğdu;
Yasemin Gündoğdu
1
Selçuk University
, Faculty of Science, Department of Physics, Selcuklu, Konya, Turkey
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Kenneth William David Ledingham;
Kenneth William David Ledingham
1
Selçuk University
, Faculty of Science, Department of Physics, Selcuklu, Konya, Turkey
3SUPA, Department of Physics,
University of Strathclyde
, Glasgow G4 0NG, Scotland
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Hamdi Sukur Kilic
Hamdi Sukur Kilic
1
Selçuk University
, Faculty of Science, Department of Physics, Selcuklu, Konya, Turkey
2
Selçuk University
, Directorate of High Technology Research and Application Center, Selcuklu, Konya, Turkey
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a)
Corresponding author: hamdisukurkilic@selcuk.edu.tr
AIP Conf. Proc. 1722, 060004 (2016)
Citation
Abdullah Kepceoğlu, Yasemin Gündoğdu, Kenneth William David Ledingham, Hamdi Sukur Kilic; Identification of the isomers using principal component analysis (PCA) method. AIP Conf. Proc. 25 March 2016; 1722 (1): 060004. https://doi.org/10.1063/1.4944149
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