Showing papers in "International Journal of Mass Spectrometry in 2000"

TL;DR: A reflective overview of the origins, history, and capabilities of the ion optics simulation program simion for the PC (versions 2.0-7.0) from the author's perspective is given in this article.

TL;DR: Electrospray ionization mass spectrometry (ESI-MS) has demonstrated utility for the detection and study of weakly bound, noncovalent complexes, including protein interactions with inhibitors, cofactors, metal ions, carbohydrates, other peptides and proteins, enzyme–substrate pairings, and nucleic acid complexes.

TL;DR: The present range and power of Fourier transform ion cyclotron resonance mass spectrometry rest on a number of prior technique developments as mentioned in this paper, which can resolve and identify up to thousands of components of a complex mixture, often without prior wet chemical separation, thereby potentially changing the whole approach to dealing with chemical and biological complexity.

TL;DR: A recent review as discussed by the authors describes recent progress in the development of more rigorous approaches for the calculation of absolute electron-impact molecular ionization cross sections, particularly in applications where a larger number of cross section data were needed with reasonable precision.

TL;DR: In this article, new ion production schemes and/or modified ion sources for these experiments are discussed, as are various mass spectrometry configurations used for mass selection, and new kinds of ions and new forms of sensitive and selective spectroscopy in the ultraviolet, visible, and infrared wavelength regions for these ions are also reviewed.

TL;DR: In this article, a review dealing with the examination of supramolecular architectures by mass spectrometric methodology is presented, focusing on ion generation, structure determination, thermochemical data determination, the analysis of stereochemical features, and the mechanistic pathways of ion generation and fragmentation in the gas phase.

TL;DR: In the past 20 years, ion beam methods have become a reliable experimental tool for the determination of thermochemical data, which has led to increasingly sophisticated models that permit the extraction of meaningful thermodynamic values from the analysis of kinetic energy dependent data as mentioned in this paper.

TL;DR: In this paper, the frequency-to-mass calibration relation m/z = AL/v + BL/v2 is derived for ion cyclotron resonance (ICR) data.

TL;DR: In this paper, the contributions of Ar-O and Ar-N molecular species to the mass spectrum in the Fe mass region are minimised and the repeatability of the 57Fe/54Fe ratio of a sample Fe solution relative to the IRMM-14 Fe isotope standard is better than 100 ppm at 95% confidence.

TL;DR: Exploratory experiments with electrospray ionization mass spectrometry have been carried out on crude oil, jet fuel, gasoline, and coal as mentioned in this paper, and the resulting mass spectra contain a remarkable amount of information on the composition and character of these sometimes very complex materials.

TL;DR: An atmospheric pressure/chemical ionization mass spectrometer (AP/CIMS) has been developed for continuous long-term measurements of atmospheric OH and H2SO4 as mentioned in this paper.

TL;DR: In this article, the ionic complexes formed by electrospray of methanol/water solutions of all the α amino acids (AA) were studied by collisional activation in a triple quadrupole mass spectrometer.

TL;DR: In this article, the development of electrospray mass spectrometry (ESMS) for the characterization of organometallic compounds is discussed, and the diverse range of both ionic and neutral species amenable to investigation, together with the ability to detect in situ reaction intermediates, is evidence that ESMS should be regarded as one of the major techniques available for organometric solution studies.

TL;DR: The matrix assisted laser desorption/ionization (MALDI) has been a success in the analysis of macromolecules from identification to function, the former a key element in proteomics, the latter partially still a dream, a not so unrealistic one, though as mentioned in this paper.

TL;DR: In this paper, the effects of ion energy, mass and composition on the detection efficiency of a microchannel plate (MCP) have been studied in detail, using a time-of-flight (TOF) mass spectrometer.

TL;DR: The use of mass spectrometry for the study of host-guest complexation and molecular recognition involving either synthetic hosts or biological hosts has been a growing area of research over the past decade.

TL;DR: In this article, simple glycine-based peptides containing acidic [aspartic (D) and glutamic acid (E)] and basic residues [arginine (R)] were dissociated by SID both in a tandem double quadrupole (Q1Q2) and a hybrid sector/time-of-flight (TOF) mass spectrometer, as well as by low-energy collision-induced dissociation in an ion trap mass analyzer.

TL;DR: A personal account of the quadrupole ion trap researches carried out in my laboratory and in collaboration with other laboratories can be found in this paper, along with a review of the ion trap literature from 1994 to the present.

TL;DR: The ion-trapping ion cyclotron resonance spectrometer, or Fourier transform mass spectrometers, provides a powerful and convenient environment for the study of photodissociation of gas-phase ions as discussed by the authors.

TL;DR: In this article, the most important experimental methodologies so far employed for chiral recognition in diastereomeric complexes are illustrated in the present review, where emphasis is put on the principles and the applications of techniques, such as radiolysis, Fourier transform ion cyclotron resonance (FTICR), and collision-induced dissociation (CID) mass spectrometry, that allow measurement of the relative stability and quantification of the short-range forces controlling their enantioselective evolution to products.

TL;DR: In this article, the current status concerning the C 2 binding energy or evaporation energy in C 60, D (C 58 −C 2 ) = Δ E vap (C 60 ).

TL;DR: Ion trap collisional activation is used to study the effects of charge state on protonated insulin decompositions for three forms of insulin: bovine, porcine, and human.

TL;DR: In this paper, an improved electrodynamic ion funnel design was proposed to reduce the spacing between ring electrodes to 1 mm and provide an optimized profile of the ring electrodes radii.

TL;DR: In this paper, the most important inorganic mass spectrometric techniques and their application for quantitative determination of trace element, isotope ratio measurements, and in-surface analysis are discussed.

TL;DR: In this paper, the authors discuss the discovery of charge-remote fragmentation in their laboratory and describe their efforts to understand their mechanism and to exploit their high information content in structure determinations of fatty acid and related materials.

TL;DR: An automated liquid chromatographic/tandem mass spectrometric (LC/MS/MS) method is presented for the screening and confirmation of 16 beta-blocking drugs in clinical and autopsy urine samples and demonstrated that library search of beta- blocking drugs in urine with MS/MS product ion mass spectra was more reliable and produced fewer false negatives than library searching with mass specta derived from single-stage quadrupole MS.

TL;DR: The use of mass spectrometers for the characterisation of polymer additive systems and polymers that had either been chemically or thermally degraded has been discussed in this article. But the application has been, for the most part, limited to the characterization of polymers.

TL;DR: In this article, a novel inductively coupled plasma/selected ion flow tube (ICP/SIFT) mass spectrometer has been constructed for the study of the kinetics and product distributions of reactions of atomic and atomic oxide ions with neutral molecules.

TL;DR: In this paper, a study of the fragmentation of C 6 H 5 Br + was carried out using both on-resonance and sustained off resonance excitation, and the results were modeled using the Rice-Ramsperger-Kassel-Marcus/quasi-equilibrium theory formalism.

TL;DR: In this paper, the authors present vibrational ion spectra of various clusters of indole, phenol and 1-naphthol and compare results for van der Waals with hydrogen bond energies and find a strong increase for the latter in the ionized cluster.