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Interpretation of Mass Spectra
01 Jan 1966-
TL;DR: In this paper, the basic mechanism of ion fragmentation is described and a theory of unimolecular Ion Decompositions is proposed, along with a detailed model of the mass spectrum of common compound classes.
Abstract: 1. Introduction 2. Elemental Composition 3. The Molecular Ion 4. Basic Mechanisms of Ion Fragmentation 5. Postulation of Molecular Structures 6. Auxiliary Techniques 7. Theory of Unimolecular Ion Decompositions 8. Detailed Mechanisms of Ion Fragmentation 9. Mass Spectra of Common Compound Classes 10.Computer Identification of Unknown Mass Spectra 11.Solutions to Unknowns Bibliography Appendix Index
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TL;DR: The second edition of The Biomarker Guide as mentioned in this paper provides a comprehensive account of the role that biomarker technology plays both in petroleum exploration and in understanding Earth history and processes.
Abstract: The second edition of The Biomarker Guide is a fully updated and expanded version of this essential reference. Now in two volumes, it provides a comprehensive account of the role that biomarker technology plays both in petroleum exploration and in understanding Earth history and processes. Biomarkers and Isotopes in the Environment and Human History details the origins of biomarkers and introduces basic chemical principles relevant to their study. It discusses analytical techniques, and applications of biomarkers to environmental and archaeological problems. The Biomarker Guide is an invaluable resource for geologists, petroleum geochemists, biogeochemists, environmental scientists and archaeologists.
2,163 citations
TL;DR: A detailed discussion of the strengths and limitations of the AMS measurement approach is presented and how the measurements are used to characterize particle properties are reviewed to highlight the different applications of this instrument.
Abstract: The application of mass spectrometric techniques to the realtime measurement and characterization of aerosols represents a significant advance in the field of atmospheric science. This review focuses on the aerosol mass spectrometer (AMS), an instrument designed and developed at Aerodyne Research, Inc. (ARI) that is the most widely used thermal vaporization AMS. The AMS uses aerodynamic lens inlet technology together with thermal vaporization and electron-impact mass spectrometry to measure the real-time non-refractory (NR) chemical speciation and mass loading as a function of particle size of fine aerosol particles with aerodynamic diameters between similar to 50 and 1,000 nm. The original AMS utilizes a quadrupole mass spectrometer (Q) with electron impact (EI) ionization and produces ensemble average data of particle properties. Later versions employ time-of-flight (ToF) mass spectrometers and can produce full mass spectral data for single particles. This manuscript presents a detailed discussion of the strengths and limitations of the AMS measurement approach and reviews how the measurements are used to characterize particle properties. Results from selected laboratory experiments and field measurement campaigns are also presented to highlight the different applications of this instrument. Recent instrumental developments, such as the incorporation of softer ionization techniques (vacuum ultraviolet (VUV) photo-ionization, Li(+) ion, and electron attachment) and high-resolution ToF mass spectrometers, that yield more detailed information about the organic aerosol component are also described. (c) 2007 Wiley Periodicals, Inc.
1,545 citations
TL;DR: This review will focus on the advances in ESI/MS, which have facilitated the development of shotgun lipidomics and the utility of intrasource separation as an enabling strategy for utilization of 2D mass spectrometry in Shotgun lipidomics of biological samples.
Abstract: Lipidomics, after genomics and proteomics, is a newly and rapidly expanding research field that studies cellular lipidomes and the organizational hierarchy of lipid and protein constituents mediating life processes. Lipidomics is greatly facilitated by recent advances in, and novel applications of, electrospray ionization mass spectrometry (ESI/MS). In this review, we will focus on the advances in ESI/MS, which have facilitated the development of shotgun lipidomics and the utility of intrasource separation as an enabling strategy for utilization of 2D mass spectrometry in shotgun lipidomics of biological samples. The principles and experimental details of the intrasource separation approach will be extensively discussed. Other ESI/MS approaches towards the quantitative analyses of global cellular lipidomes directly from crude lipid extracts of biological samples will also be reviewed and compared. Multiple examples of lipidomic analyses from crude lipid extracts employing these approaches will be given to show the power of ESI/MS techniques in lipidomics. Currently, modern society is plagued by the sequelae of lipid-related diseases. It is our hope that the integration of these advances in multiple disciplines will catalyze the development of lipidomics, and such development will lead to improvements in diagnostics and therapeutics, which will ultimately result in the extended longevity and an improved quality of life for humankind.
1,053 citations
TL;DR: A new approach for the comprehensive and quantitative analysis of charged metabolites by capillary electrophoresis mass spectrometry (CE-MS) is proposed, which enabled the determination of 352 metabolic standards and its utility was demonstrated in the analysis of 1692 metabolites from Bacillus subtilis extracts.
Abstract: A new approach for the comprehensive and quantitative analysis of charged metabolites by capillary electrophoresis mass spectrometry (CE−MS) is proposed. Metabolites are first separated by CE based...
891 citations
TL;DR: The Aerodyne Aerosol Mass Spectrometer (AMS) as mentioned in this paper was designed to measure size-resolved mass distributions and total mass loadings of volatile and semivolatile chemical species in/on submicron particles.
Abstract: The Aerodyne Aerosol Mass Spectrometer (AMS) has been designed to measure size-resolved mass distributions and total mass loadings of volatile and semivolatile chemical species in/on submicron particles. This paper describes the application of this instrument to ambient aerosol sampling. The AMS uses an aerodynamic lens to focus the particles into a narrow beam, a roughened cartridge heater to vaporize them under high vacuum, and a quadrupole mass spectrometer to analyze the vaporized molecules. Particle size is measured via particle time-of-flight. The AMS is operated in two modes: (1) a continuous mass spectrum mode without size information; and (2) a size distribution measurement mode for selected m/z settings of the quadrupole. Single particles can also be detected and sized if they have enough mass of a chemical component. The AMS was deployed at a ground sampling site near downtown Atlanta during August 1999, as part of the Environmental Protection Agency/Southern Oxidant Study Particulate Matter “Supersite” experiment, and at a suburban location in the Boston area during September 1999. The major observed components of the aerosol at both sites were sulfate and organics with a minor fraction of nitrate, consistent with prior studies and colocated instruments. Different aerosol chemical components often had different size distributions and time evolutions. More than half of the sulfate mass was contained in 2% of the ambient particles in one of the sampling periods. Trends in mass concentrations of sulfate and nitrate measured with the AMS in Atlanta compare well with those measured with ion chromatography-based instruments. A marked diurnal cycle was observed for aerosol nitrate in Atlanta. A simple model fit is used to illustrate the integration of data from several chemical components measured by the AMS together with data from other particle instruments into a coherent representation of the ambient aerosol.
852 citations