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Type of Document Dissertation Author Wu, Zhigang URN etd-04122004-115522 Title Compositional Analysis of Complex Organic Mixtures by Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Degree Doctor of Philosophy Department Chemistry and Biochemistry, Department of Advisory Committee
Advisor Name Title Alan G. Marshall Committee Chair Ryan P. Rodgers Committee Member Timothy A. Cross Committee Member William M. Landing Committee Member William T. Cooper Committee Member Keywords
- Kendrick Mass
- Oil
- Explosives
- Adulteration
- Van Krevelen Diagram
- ESI
- FT-ICR
Date of Defense 2004-04-07 Availability unrestricted Abstract COMPOSITIONAL ANALYSIS OF COMPLEX ORGANIC MIXTURES BY ELECTROSPRAY IONIZATION FOURIER TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETRY
Name: Zhigang Wu
Department: Chemistry & Biochemistry
Major Professor: Alan, G. Marshall
Degree: Ph. D
Term Degree Awarded: Spring, 2004
Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has ultrahigh mass resolving power (m/Dm50% >300,000) and high mass accuracy (<1 ppm), which enables separation and identification of elemental compositions of complicated mixture. Electrospray ionization (ESI) provides selective ionization of polar heteroatomic compounds without chromatographic isolation. In addition, Kendrick mass plot is introduced in petrochemical analysis for an easy and fast data reduction.
We first applied ESI FT-ICR mass spectrometry to the analysis of petrochemical samples like coal extracts and crude oils then extended this work into other complex mixtures, such as vegetable oils, hydrotreated fuels and military explosives. Detailed elemental compositions can be used as “fingerprint” to characterize each mixture sample. Three-dimensional van Krevelen diagram can be applied to characterize different fossil fuels. We demonstrate the great potential of ESI-FT-ICR MS in analysis of complex organic mixtures.
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