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Title: Developments in triple quadrupole mass spectrometry. I. Distributed processing control system. II. Screening applications for fuel analysis

Abstract

A data acquisition and control system for a triple quadrupole mass spectrometer has been developed using several microprocessors in a distributed processing system. This system includes four processors, one acting as the system master controlling three slave processors. In such a distributed processing system each processor is assigned a specific task. Critical to this application is the allocation of the task of data acquisition, ion path control, and peak finding to separate slave processors. This modular approach leads to a system where each major section of the instrument has it's own dedicated intelligence. This parallel processing system allows operations that are often implemented in hardware (for speed considerations) to be performed in software. The use of triple quadrupole mass spectrometry, and MS/MS technique, to detect selected species in middle distillate fuels was examined. Collision-activated dissociation (CAD) spectra were obtained for reference compounds from several heteroatom-containing compound classes. The CAD results were used to select screening reactions for each compound class. The effectiveness of these screening reactions was demonstrated by identifying the presence of various species in samples of Jet A aviation fuel, a shale oil derived fuel and No. 2 diesel fuel.

Authors:
Publication Date:
OSTI Identifier:
5868443
Resource Type:
Thesis/Dissertation
Resource Relation:
Other Information: Thesis (Ph.D.)
Country of Publication:
United States
Language:
English
Subject:
02 PETROLEUM; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 04 OIL SHALES AND TAR SANDS; AVIATION FUELS; CHEMICAL ANALYSIS; DIESEL FUELS; MASS SPECTROMETERS; DISTRIBUTED DATA PROCESSING; MICROPROCESSORS; SHALE OIL; DATA ACQUISITION; DISTILLATES; PERFORMANCE; QUADRUPOLES; COMPUTERS; DATA PROCESSING; ELECTRONIC CIRCUITS; ENERGY SOURCES; FOSSIL FUELS; FUELS; MEASURING INSTRUMENTS; MICROELECTRONIC CIRCUITS; MINERAL OILS; MULTIPOLES; OILS; ORGANIC COMPOUNDS; OTHER ORGANIC COMPOUNDS; PETROLEUM PRODUCTS; PROCESSING; SPECTROMETERS 023000* -- Petroleum-- Properties & Composition; 400104 -- Spectral Procedures-- (-1987); 040500 -- Oil Shales & Tar Sands-- Properties & Composition

Citation Formats

Myerholtz, C.A.. Developments in triple quadrupole mass spectrometry. I. Distributed processing control system. II. Screening applications for fuel analysis. United States: N. p., 1984. Web.
Myerholtz, C.A.. Developments in triple quadrupole mass spectrometry. I. Distributed processing control system. II. Screening applications for fuel analysis. United States.
Myerholtz, C.A.. 1984. "Developments in triple quadrupole mass spectrometry. I. Distributed processing control system. II. Screening applications for fuel analysis". United States. doi:.
@article{osti_5868443,
title = {Developments in triple quadrupole mass spectrometry. I. Distributed processing control system. II. Screening applications for fuel analysis},
author = {Myerholtz, C.A.},
abstractNote = {A data acquisition and control system for a triple quadrupole mass spectrometer has been developed using several microprocessors in a distributed processing system. This system includes four processors, one acting as the system master controlling three slave processors. In such a distributed processing system each processor is assigned a specific task. Critical to this application is the allocation of the task of data acquisition, ion path control, and peak finding to separate slave processors. This modular approach leads to a system where each major section of the instrument has it's own dedicated intelligence. This parallel processing system allows operations that are often implemented in hardware (for speed considerations) to be performed in software. The use of triple quadrupole mass spectrometry, and MS/MS technique, to detect selected species in middle distillate fuels was examined. Collision-activated dissociation (CAD) spectra were obtained for reference compounds from several heteroatom-containing compound classes. The CAD results were used to select screening reactions for each compound class. The effectiveness of these screening reactions was demonstrated by identifying the presence of various species in samples of Jet A aviation fuel, a shale oil derived fuel and No. 2 diesel fuel.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = 1984,
month = 1
}

Thesis/Dissertation:
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  • Characteristics of collision processes in the quadrupole collision chamber of a triple quadrupole mass spectrometer are explored. Results are used to aid in the analytical application of collisionally activated dissociation (CAD) and collisionally activated reactions (CAR) that occur through the ion-molecule interactions in the quadrupole collision chamber. Ions formed in the ion source are selected by their mass-to-charge ratio in the first quadrupole to pass into the pressurized RF-only quadrupole collision chamber. Interaction of the low energy (<200 eV) selected ion with the target gas present in the collision chamber leads to an increase of the ion's internal energy andmore » its subsequent dissociation or to an ion-molecule reaction with the target gas. The ionic collision products are mass analyzed by the third quadrupole and detected. An RF-only quadrupole exhibits no discrimination of mass-to-charge values and strongly focuses all scattered ions. The spectra produced via CAD or CAR in a triple quadrupole mass spectrometer are easy to interpret as unit mass resolution is preserved for both selection of reactant ions and analysis of ionic products. Application of CAD to the identification of compounds present in the acid fraction of the priority pollutants is presented. Application of CAR for differentiating among different hydroxy- and halogen-containing aromatic positional isomers is described.« less
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  • The development of triple quadrupole mass spectrometers as a means of performing tandem mass spectrometry has provided a versatile instrument on which the ion/molecule reactions of a mass selected ion can be studied. This dissertation details the application of ion/molecule reactions in a triple quadrupole to two analytical problems. Part I. Ion/Molecule Reactions of Ammonia with Translationally Excited C/sub 2/H/sub 5/O/sup +//Ions. The ability to impart low center-of-mass translational energies, which upon collision are converted into internal energy, allows the observation of reactions that require energy input. In addition, the systematic variation of the ion kinetic energy, often referred tomore » as energy-resolved mass spectrometer, adds another dimension to the mass spectrum and can allow the observation of thresholds for reactions requiring energy input. This investigation develops methods for determining these thresholds. Part 2. The Use of Ion/Molecule Reactions in selected Reaction Monitoring GC/MSD/MS Analyses. An approach to improving the selectivity of an analysis is to improve the selectivity of the detection method. In GC/MS, one method has been to monitor a selected fragmentation reaction, either metastable or collisionally activated, in a selected reaction monitoring (SRM) analysis. This develops the use of ion/molecule reactions for selected reaction monitoring analyses.« less
  • Ultra-sensitive native fluorescence detection of proteins with miniaturized one- and two-dimensional polyacrylamide gel electrophoresis was achieved with laser side-entry excitation, which provides both high excitation power and low background level. The detection limit for R-phycoerythrin protein spots in 1-D SDS-PAGE was as low as 15 fg, which corresponds to 40 thousand molecules only. The average detection limit of six standard native proteins was 5 pg per band and the dynamic range spanned more than 3 orders of magnitude. Approximately 150 protein spots from 30 ng of total Escherichia coli extraction were detected on a 0.8 cm x 1 cm gelmore » in two-dimensional separation. Estrogen-DNA adducts as 4-OHE 1(E 2)-1-N3Ade and 4-OHEI(E 2)-2-NacCys were hypothesized as early risk assessment of prostate and breast cancers. Capillary electrophoresis, luminescence/absorption spectroscopy and LC-MS were used to characterize and detect these adducts. Monoclonal antibodies against each individual adduct were developed and used to enrich such compounds from urine samples of prostate and breast cancer patients as well as healthy people. Adduct 4-OHE 1-1-N3Ade was detected at much higher level in urine from subjects with prostate cancer patients compared to healthy males. The same adduct and 4-OHEI-2-NacCys were also detected at a much higher level in urine from a woman with breast carcinoma than samples from healthy controls. These two DNA adducts may serve as novel biomarkers for early diagnostic of cancers. The adsorption properties of R-phycoerythrin (RPE), on the fused-silica surface were studied using capillary electrophoresis (CE) and single molecule spectroscopy. The band shapes and migration times were measured in CE. Adsorption and desorption events were recorded at the single-molecule level by imaging of the evanescent-field layer using total internal reflection. The adsorbed RPE molecules on the fused-silica prism surface were counted with confidence based on Imagej software. The capacity factor and desorption rate were estimated from the counting results. The mobility-based adsorption isotherms were constructed from both computer simulations and experiments to determine the capacity factor.« less
  • The search presented herein shows how the multitechnique approach can be applied to the study of copolymers and homopolymer blends, in order to determine the surface composition of the sample. In addition, the added information gained through the combination of several techniques allows one to determine the sample morphology as well, leading to a much more complete understanding of the properties of the surface region for these polymers. Low Energy Ion Scattering Spectrometry (ISS) is introduced as a useful addition to the multitechnique analysis of polymer surfaces. The use of ISS in the multitechnique analysis of polymer surfaces demonstrates thatmore » the addition of ion beam techniques can provide information not currently available from other spectroscopic measurements. In this regard work is presented here on the Secondary Ion Mass Spectrometry (SIMS) analysis of monomer and polymer films on silver substrates. This work will explore the analytical capabilities of SIMS for the eventual use in the multitechnique study of polymers. Results are presented concerning the detection limit of SIMS for the analysis of organic films on a silver substrata and the damage rate found for different sample concentrations. In addition the work demonstrates the utility of using the negative ion mode in the SIMS analysis of organic thin films in order to obtain strong parent ion related peaks and low chemical noise. The SIMS study of these films can serve as a bridge to connect the results of SIMS investigations of organic molecules on metal substrates and the results of SIMS investigations of polymers.« less