IRMPD Spectroscopy of [PC (4:0/4:0) + M]+ (M = H, Na, K) and Corresponding CID Fragment Ions

2021 ◽  
Author(s):  
Simon Becher ◽  
Giel Berden ◽  
Jonathan Martens ◽  
Jos Oomens ◽  
Sven Heiles
Keyword(s):  
Irmpd Spectroscopy ◽  
Fragment Ions

Gas-phase conformations of small polyprolines and their fragment ions by IRMPD spectroscopy

2015 ◽  
Vol 377 ◽  
pp. 179-187 ◽  
Author(s):  
Jonathan K. Martens ◽  
Josipa Grzetic ◽  
Giel Berden ◽  
Jos Oomens
Keyword(s):  
Gas Phase ◽  
Irmpd Spectroscopy ◽  
Fragment Ions

Scattering of Low-Energy (5-12 eV) C2D4•+ Ions from Room-Temperature Carbon Surfaces

2008 ◽  
Vol 73 (6-7) ◽  
pp. 755-770 ◽  
Author(s):  
Andriy Pysanenko ◽  
Ján Žabka ◽  
Zdeněk Herman
Keyword(s):  
Survival Probability ◽  
Room Temperature ◽  
Incident Angle ◽  
Pyrolytic Graphite ◽  
Carbon Surface ◽  
Translational Energy ◽  
Energy Distributions ◽  
Surface Mass ◽  
Fragment Ions ◽  
Product Ions

The scattering of the hydrocarbon radical cation C2D4•+ from room-temperature carbon (highly oriented pyrolytic graphite, HOPG) surface was investigated at low incident energies of 6-12 eV. Mass spectra, angular and translational energy distributions of product ions were measured. From these data, information on processes at surfaces, absolute ion survival probability, and kinematics of the collision was obtained. The projectile ion showed both inelastic, dissociative and reactive scattering, namely the occurrence of H-atom transfer reaction with hydrocarbons present on the room-temperature carbon surface. The absolute survival probability of the ions for the incident angle of 30° (with respect to the surface) decreased from about 1.0% (16 eV) towards zero at incident energies below 10 eV. Estimation of the effective surface mass involved in the collision process led to m(S)eff of about 57 a.m.u. for inelastic non-dissociative collisions of C2D4•+ and of about 115 a.m.u. for fragment ions (C2D3+, C2D2•+) and ions formed in reactive surface collisions (C2D4H+, C2D2H+, contributions to C2D3+ and C2D2•+). This suggested a rather complex interaction between the projectile ion and the hydrocarbon-covered surface during the collision.

Comparison of isomeric C3H7O+ ion mobilities using fragment ions from 2-butanol and tert-butanol in He and Ne

2020 ◽  
Vol 739 ◽  
pp. 137045
Author(s):  
Kazunari Takaya ◽  
Yuya Hasegawa ◽  
Tetsuo Koizumi
Keyword(s):  
Tert Butanol ◽  
Fragment Ions

Fragment Ions of Dimethylsilane Produced by Hot Tungsten Wires

2006 ◽  
Vol 45 (10B) ◽  
pp. 8204-8207 ◽  
Author(s):  
Satoru Yoshimura ◽  
Akinori Toh ◽  
Satoshi Sugimoto ◽  
Masato Kiuchi ◽  
Satoshi Hamaguchi
Keyword(s):  
Fragment Ions

Electron-impact dissociation ofCD3+andCH3+ions producingCD2+,CH+, andC+fragment ions

2009 ◽  
Vol 79 (5) ◽  
Author(s):  
E. M. Bahati ◽  
M. Fogle ◽  
C. R. Vane ◽  
M. E. Bannister ◽  
R. D. Thomas ◽  
...  
Keyword(s):  
Electron Impact ◽  
Electron Impact Dissociation ◽  
Fragment Ions

scholarly journals Microsolvation of Zn cations: infrared multiple photon dissociation spectroscopy of Zn+(H2O)n (n = 2–35)

2021 ◽  
Vol 23 (5) ◽  
pp. 3627-3636
Author(s):  
Ethan M. Cunningham ◽  
Thomas Taxer ◽  
Jakob Heller ◽  
Milan Ončák ◽  
Christian van der Linde ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Irmpd Spectroscopy ◽  
Infrared Multiple Photon Dissociation

The structures, along with solvation evolution, of size-selected Zn+(H2O)n (n = 2–35) complexes have been determined by combining infrared multiple photon photodissociation (IRMPD) spectroscopy and density functional theory.

scholarly journals IRMPD Spectroscopy of Homo- and Heterochiral Asparagine Proton-Bound Dimers in the Gas Phase

2021 ◽  
Vol 125 (34) ◽  
pp. 7449-7456
Author(s):  
Åke Andersson ◽  
Mathias Poline ◽  
Kas J. Houthuijs ◽  
Rianne E. van Outersterp ◽  
Giel Berden ◽  
...  
Keyword(s):  
Gas Phase ◽  
Irmpd Spectroscopy

scholarly journals Chimera Spectrum Diagnostics for Peptides Using Two-Dimensional Partial Covariance Mass Spectrometry

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3728
Author(s):  
Taran Driver ◽  
Nikhil Bachhawat ◽  
Leszek J. Frasinski ◽  
Jonathan P. Marangos ◽  
Vitali Averbukh ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Peptide Sequence ◽  
Two Dimensional ◽  
Peptide Ions ◽  
Finite Mass ◽  
Protein Database ◽  
Spectra Analysis ◽  
Fragment Ions ◽  
Single Precursor ◽  
The Common

The rate of successful identification of peptide sequences by tandem mass spectrometry (MS/MS) is adversely affected by the common occurrence of co-isolation and co-fragmentation of two or more isobaric or isomeric parent ions. This results in so-called `chimera spectra’, which feature peaks of the fragment ions from more than a single precursor ion. The totality of the fragment ion peaks in chimera spectra cannot be assigned to a single peptide sequence, which contradicts a fundamental assumption of the standard automated MS/MS spectra analysis tools, such as protein database search engines. This calls for a diagnostic method able to identify chimera spectra to single out the cases where this assumption is not valid. Here, we demonstrate that, within the recently developed two-dimensional partial covariance mass spectrometry (2D-PC-MS), it is possible to reliably identify chimera spectra directly from the two-dimensional fragment ion spectrum, irrespective of whether the co-isolated peptide ions are isobaric up to a finite mass accuracy or isomeric. We introduce ‘3-57 chimera tag’ technique for chimera spectrum diagnostics based on 2D-PC-MS and perform numerical simulations to examine its efficiency. We experimentally demonstrate the detection of a mixture of two isomeric parent ions, even under conditions when one isomeric peptide is at one five-hundredth of the molar concentration of the second isomer.

scholarly journals Reaktive E=C(p–p)π Systeme, XXXIV Addition von Alkoholen oder primären Aminen an Phosphaalkene F3CP=C(F)OR. Neue Trifluormethylphosphane und -phosphaalkene/Reactive E = C( p – p ) π-Systems, XXXIV Addition of Alcohols or Primary Amines to Phosphaalkenes F3CP= C(F)OR . Novel Trifluoromethylphosphanes and Phosphaalkenes

1993 ◽  
Vol 48 (1) ◽  
pp. 58-67 ◽  
Author(s):  
Joseph Grobe ◽  
Duc Le Van ◽  
Gudrun Lange
Keyword(s):  
High Resolution Mass Spectrometry ◽  
Molar Ratio ◽  
Primary Amines ◽  
The Novel ◽  
Experimental Conditions ◽  
Pull System ◽  
Fragment Ions ◽  
New Compounds ◽  
C Nmr

The course of the reactions o f fluorophosphaalkenes F3CP = C (F)OR [R = Me (1), Et (2)] with methanol or ethanol strongly depends on the experimental conditions. Thus at 70 °C a mixture of the 2-phosphapropionic acid ester F3CP (H )CO2R [R = Me (3), Et (4)] and trifluoromethylphosphane H2PCF3 is formed [molar ratio: 3 or 4 /H2 CF3 ≈1/1]. If the precursors F3CP (H )CO2R [R = Me (3), Et) are used as starting materials, the reaction with ROH under the same conditions affords 3 and 4, respectively, (90 to 95% yield) with only traces of H2PCF 3. In the presence o f iPr2NH these precursors react with R′OH to give the novel trifluoromethylphosphaalkenes F3CP = C (OR )OR [R /R′: Me/Me (6); E t/E t (7); Me/Et (8)]. With Et2NH , 3 undergoes an addition/elimination process yielding the interesting push/pull system Et2N(F)C = P-CO2Me (5). 1 and 2 react with primary amines R′NH2 (R′= tBu, Me) with stereoselective formation of the fairly labile phosphaalkenes F3CP = C(OR)NHR′ [R /R′: Me/tBu (9), Et/tBu(10), Me/Me (11)] with trans-positions for CF3 and NHR′.The new compounds 3 -11 were characterized by spectroscopic investigations (1H , 19F, 31P, 13C NMR ; IR, MS) and determination of M+ or typical fragment ions [M+ -OR ] by high resolution mass spectrometry.

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