Chemometric classification of low-resolution spectra of organic iron derivatives

Journal Title: CHEMIK nauka-technika-rynek - Year 2011, Vol 65, Issue 4

Abstract

This work reports the results of chemometric analysis of 33 low-resolution mass spectra of iron organic derivatives performed to accomplish their classification. Two computer programs had been applied, i.e. MassFeatGen (with modified values of spectral features) and R (for principal component analysis, PCA). Such approach, which has been used routinely only for mass spectra of typical organic compounds, appeared to be effective also for organometalics of iron due to similarity of iron and carbon isotopic profiles. Present study enabled division of all investigated spectra on two classes representing: Ist –carbonyl compounds and II nd – non-carbonyl compounds.

Authors and Affiliations

Ernest Pujszo, Jacek Szymura, Jan Lamkiewicz, Irena Szymura

Keywords

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  • EP ID EP85400
  • DOI -
  • Views 126
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How To Cite

Ernest Pujszo, Jacek Szymura, Jan Lamkiewicz, Irena Szymura (2011). Chemometric classification of low-resolution spectra of organic iron derivatives. CHEMIK nauka-technika-rynek, 65(4), 267-272. https://europub.co.uk/articles/-A-85400