Ion mass assignments based on mobility measuremets.  Validity of plasma chromatographic mass mobility correlations

Griffin, G. W.; Džidić, I.; Carroll, D. I.; Stillwell, Richard; Horning, E. C.

doi:10.1021/ac60329a026

Cited by 135 publications

(61 citation statements)

References 12 publications

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“…This supposition was derived from plotting curves of mass as a function of mobility, which resulted in highly correlated calibration curves. However, this notion was qualified by Horning and colleagues in that highly correlated mass-mobility relationships are only valid for structurally-related compounds, and concluded that "identification of the ion species based solely upon mobility data is at best speculative and should be discouraged [12]." Subsequently, a rigorous treatment derived from the kinetic theory of gases, reviewed the interdependencies of the physical parameters of separation on the measured mobility for drift tube IM [13][14][15], which to a first approximation, given appropriate approximations, results in the following:…”

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confidence: 99%

The mass-mobility correlation redux: The conformational landscape of anhydrous biomolecules

McLean

2009

J. Am. Soc. Mass Spectrom.

100

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Structural separations on the basis of gas-phase ion mobility-mass spectrometry are increasingly used for the analysis of complex biological samples. As a tool to elucidate biomolecular structure, ion mobility-mass spectrometry methods are unique in that direct molecular structural information is obtained for all resolved species, largely irrespective of the complexity of the sample. Computational approaches are used to interpret and discern structural details consistent with the empirical results. To a first approximation, correlations of mobility with mass allow for qualitative identification of the molecular class to which a particular species belongs. These correlations allow simultaneous characterization of different classes of biomolecules, which provides a means for combining omics measurements, such as lipidomics, proteomics, glycomics, and metabolomics, in the same analysis. Examination of the correlation of fine structure reveals that specific structural motifs, chemical functionality, chemical connectivity, and composition may also be determined, depending on the specific biomolecular class. Mapping the coarse and fine structure in ion mobility-mass spectrometry conformation space measurements provides an atlas for interpretation and discovery in complicated spectra. as-phase separations on the basis of migration and diffusion of ions through a neutral gas under the influence of an applied field have existed for over a century. The first examples of gasphase ion mobility (IM) include the quantitative studies of ionized gases by Rutherford shortly after the discovery of X-rays [1,2]. To place these early IM experiments in the context of mass spectrometry (MS), it would be almost another decade before J. J. Thomson would construct his first mass spectrograph [3]. Over the historic span of IMS development, the technique has been referred to by several names, including plasma chromatography [4], ion chromatography [5], and the currently accepted term ion mobility spectrometry (IMS). A detailed account on the historic development of IMS and milestones in the progress of gas-phase IM techniques is described elsewhere [6,7]. For many years, IMS separations were used for the fundamental study of atomic and small molecular ions in plasma physics. In the 1960s and 70s, a transition occurred from using IMS primarily as a fundamental physics research tool to using it as a separations device for analytical and physical chemistry applications. Notably, the early 1960s also marked the first reports of combining IMS with MS (IM-MS) [8,9].On the basis of these early IM-MS instruments, it was proposed that with proper calibration, IMS instruments could be operated as atmospheric pressure mass spectrometers in that mass could be assigned to a particular IM drift time [10,11]. This supposition was derived from plotting curves of mass as a function of mobility, which resulted in highly correlated calibration curves. However, this notion was qualified by Horning and colleagues in that highly correlated mass-mobility relat...

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confidence: 99%

The mass-mobility correlation redux: The conformational landscape of anhydrous biomolecules

McLean

2009

J. Am. Soc. Mass Spectrom.

100

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“…The free energies of reaction were found to be positive by 5 Fig. 5, it was assumed that the reactions occurred between reactant ground states.…”

Section: Discussionmentioning

confidence: 99%

“…When a guard ring within the ionizer is coated with 63 Ni (0.067 Mev β − emitter), 1 a set of reactant ions is generated in the carrier gas that ionizes injected sample molecules by ion-molecule reactions. In the positive ion mode, the ionization sequence is [4,5] H (0.018 Mev β − emitter) and 241 Am (5. 31-5.53 Mev α + emitter) can also be used.…”

Section: Introductionmentioning

confidence: 99%

Molecular modeling interpretation of IMMS data collected on negative ionization of methyl salicylate using radioactive, corona discharge and photo-ionization

Spangler¹

2015

Int. J. Ion Mobil. Spec.

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Except for electrospray ionization that was introduced later to handle biochemical analyses, the radioactive source has been the benchmark ionization source for ion mobility spectrometry. On the other hand, the licensing requirements accompanying the use of the source has created a desire to replace it with a nonradioactive source with an equivalent ionization capability. Two such sources are the discharge and photoionization sources that are capable of negatively ionizing the internally hydrogen bonded ketoB isomer of methyl salicylate. IMMS data show that if the negative reactant ions are NO 3 − ·HNO 3 (discharge source) or CO 3 − (doped photoionization source), methyl salicylate cannot be ionized. However when the sources are synchronously pulsed with a shutter grid, methyl salicylate can be ionized by the formation of the oxygen anion adduct, O 2 − ·M, similar to radioactive ionization. The ionization capability depends not only upon the partial concentration of oxygen in the immediate ionization region but also on the geometry used to construct the source. Molecular modeling shows that the UV radiation emitted by the sources will photodissociate the reactant ions that reconstitute as the energy of the UV radiation decreases during the pulsing cycle. The reconstitution of CO 3 − is delayed due to a change in geometric symmetry and is the first to leave the ionization region because of its high mobility. This allows methyl salicylate to be ionized by oxygen anions.

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“…Also, work was performed to enable better understanding of the formation of ions in the reaction region of the IMS [20,22]. In addition, many used the Alpha II PC/MS to help clarify the validity of IMS mass-mobility relationships [23,24]. Several papers, before the abovementioned studies, attempted to create mass-mobility correlation curves by speculative assignment of masses to the identified IMS peaks without the use of a mass spectrometer [25,26,27].…”

Section: Ims-ms Developments and Applicationsmentioning

confidence: 99%

Developments in ion mobility spectrometry–mass spectrometry

2001

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Ion mobility spectrometry (IMS) has been used for over 30 years as a sensitive detector of organic compounds. The following is a brief review of IMS and its principles with an emphasis on its usage when coupled to mass spectrometry. Since its inception, IMS has been interfaced with quadrupole, time-of-flight, and Fourier-transform ion cyclotron resonance mass spectrometry. These hybrid instruments have been employed for the analysis of a variety of target analytes, including biomolecules, explosives, chemical warfare degradation products, and illicit drugs.

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Ion mass assignments based on mobility measuremets. Validity of plasma chromatographic mass mobility correlations

Cited by 135 publications

References 12 publications

The mass-mobility correlation redux: The conformational landscape of anhydrous biomolecules

The mass-mobility correlation redux: The conformational landscape of anhydrous biomolecules

Molecular modeling interpretation of IMMS data collected on negative ionization of methyl salicylate using radioactive, corona discharge and photo-ionization

Developments in ion mobility spectrometry–mass spectrometry

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