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Applications of quadrupole ion trap mass spectrometry

Posted on:2011-01-16Degree:Ph.DType:Dissertation
University:Ohio UniversityCandidate:Zimmermann, Carolyn MFull Text:PDF
GTID:1441390002459579Subject:Chemistry
Abstract/Summary:
Quadrupole ion trap mass spectrometry (QIT-MS) is used for the scientific analysis of a variety of different areas due to the relatively low cost and versatility. This research explores the use of quadrupole ions traps (QITs) for the analysis of clinical, environmental, physical chemical, biochemical, and forensic applications.;Solid phase microextraction (SPME) conventional gas chromatography tandem mass spectrometry (GC tandem MS) procedures were used to successfully identify biomarkers of alcohol abuse in human hair. Software modifications to perform fast mass scanning with dynamic collision induced dissociation (DCID) has allowed for increased selectivity and sensitivity for these biomarkers. The detection of pollutant concentrations of water treated by a vegetated biofilter was achieved by using solid phase microextraction (SPME) gas chromatography mass spectrometry (SPME GC/MS). These analyses offer an alternative analysis for organic compounds from stormwater run-off.;With the use of quadrupole ions traps (QITs), we were able to provide the first conclusive evidence that ionic liquids (ILs) can evaporate as free ions or cluster ions under reduced pressure. Enthalpies of vaporization, DeltaH vap, for each ionic liquid (IL) studied could also be calculated through Classeus-Clapeyron-like plots of the mass spectra intensities at different evaporation temperatures. Work described here also compares a fragmentation process called metastable atom-activated dissociation (MAD) in the quadrupole ion trap mass spectrometer (QIT-MS) to electron transfer dissociation (ETD) and collision-activated dissociation (CAD) on a linear ion trap. This work demonstrates that MAD-MS can result in unique and complementary sequence coverage and in comparison to the other dissociation methods. Lastly, a forensic case study describes the use of many analytical techniques, including the use of a QITs with pyrolysis direct insertion probe and in a conventional GC/MS arrangement to determine that a stain on a concrete surface was composed of mainly calcium and sodium salts of free fatty acids that are consistent with adipocere formation.;As we show, quadrupole ion traps (QITs) have the ability to operate in different modes by conventional usage or by hardware or software modifications. The different applications described here demonstrates the adaptability and versatility of QITs to a multitude of areas.
Keywords/Search Tags:Ion trap mass, Mass spectrometry, Different, Qits
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