%0 Thesis
%A Bergmann, Julian
%T High-Resolution Tandem Mass Spectrometry of complex mixtures with a Multiple-Reflection Time-of-Flight Mass-Spectrometer
%I Justus Liebig University Giessen
%V Dissertation
%M GSI-2024-01213
%P 119
%D 2024
%Z CCBY Attribution 4.0 International
%Z Dissertation, Justus Liebig University Giessen, 2024
%X In this work, a multiple-reflection time-of-flight mass spectrometer (MR-TOF-MS) was adapted and employed, for the first time, for ultra-high resolution analytical tandem mass spectrometry. The device was deployed to analyze isobaric molecules in a heavy crude oil sample and to derive new structure formulas thanks to the device's ultra-high separation power and advanced data analysis techniques. A new atmospheric pressure interface (API) was built to operate multiple ion sources in parallel and to optimize the transmission for viscous samples, like crude oil residue. A radio-frequency carpet funnels the ions to the RFQ transport line, providing a compact, efficient, and fast method to combine ions from different sources in parallel to introduce calibrants, while avoiding chemical reactions with the analyte. Ion sources of three different types, nano-ESI, micro-ESI, and thermal 133Cs, were designed, built, coupled to the API, and operated to acquire the data shown in this thesis. A software package was developed for operating the device and for acquiring and analyzing mass spectra. The software allows automatically setting up the measurement by converting parameters like the desired mass range to voltages and HV pulse sequences in real time. Further automated measurement features are a time-of-flight drift correction, a scanning of measurement parameters, and an automatic gain control. In addition, its calibration technique and its enhanced elemental composition identification further assist in analysis. Furthermore, data analysis procedures were developed to increase the mass range, while retaining a high mass accuracy and mass resolving power for closed-path MR-TOF-MS. The software is also used together with MR-TOF-MS devices at particle accelerators, i.e. the MR-TOF-MS of the FRS Ion Catcher at GSI, Darmstadt, and the MR-TOF-MS of the TITAN experiment at TRIUMF in Vancouver. The device in this work features a mass resolving power (FWHM) of up to 300000, a sensitivity down to 10 mol/l, a linear dynamic range of five orders of magnitude, and mass accuracy of 0.3 ppm. Its re-trapping technique allows for a precursor mass separation power of up to 250000 at an efficiency of 10 
%K Massenspektrometrie (Other)
%K analytische Massenspektrometrie (Other)
%K MR-TOF-MS (Other)
%K Multiple-reflection time-of-flight mass spectrometers (Other)
%K crude oil (Other)
%K Rohöl (Other)
%K Ionenoptik (Other)
%K Software (Other)
%K Gerätesteuerung (Other)
%K Datenanalyse (Other)
%K Geräteentwicklung (Other)
%K Simulationen (Other)
%K Experiment (Other)
%K Tandem Massenspektrometrie (Other)
%K Massenselektiver Wiedereinfang (Other)
%K Mass-selective re-trapping (Other)
%K IONAS (Other)
%K Scheidenberger (Other)
%K ddc:530 (Other)
%F PUB:(DE-HGF)11
%9 Dissertation / PhD Thesis
%R 10.22029/JLUPUB-18381
%U https://repository.gsi.de/record/354739