Identification of the Isomers Using Principal Component Analysis (PCA) Method

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Tarih

2016

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

AMER INST PHYSICS

Erişim Hakkı

info:eu-repo/semantics/closedAccess

Özet

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.

Açıklama

9th International Physics Conference of the Balkan-Physical-Union (BPU) -- AUG 24-27, 2015 -- Istanbul Univ, Beyazit Campus, Istanbul, TURKEY

Anahtar Kelimeler

Kaynak

9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9)

WoS Q Değeri

N/A

Scopus Q Değeri

N/A

Cilt

1722

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