Identification of the Isomers Using Principal Component Analysis (PCA) Method
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Date
2016
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Journal ISSN
Volume Title
Publisher
AMER INST PHYSICS
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info:eu-repo/semantics/closedAccess
Abstract
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.
Description
9th International Physics Conference of the Balkan-Physical-Union (BPU) -- AUG 24-27, 2015 -- Istanbul Univ, Beyazit Campus, Istanbul, TURKEY
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Journal or Series
9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9)
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N/A
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N/A
Volume
1722
