Off Peptide Product Ions

2019 ◽  
Author(s):  
Ján Labuda ◽  
Richard P. Bowater ◽  
Miroslav Fojta ◽  
Günter Gauglitz ◽  
Zdeněk Glatz ◽  
...  
Keyword(s):  
Product Ions ◽  
Peptide Product

scholarly journals Isotopologue distributions of peptide product ions by tandem mass spectrometry: Quantitation of low levels of deuterium incorporation

2007 ◽  
Vol 367 (1) ◽  
pp. 40-48 ◽  
Author(s):  
Benlian Wang ◽  
Gang Sun ◽  
David R. Anderson ◽  
Minghong Jia ◽  
Stephen Previs ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Tandem Mass ◽  
Deuterium Incorporation ◽  
Product Ions ◽  
Low Levels ◽  
Peptide Product

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.

Charge Transfer Between CO22+ and Ar or Ne at Collision Energies 3-10 eV

2003 ◽  
Vol 68 (1) ◽  
pp. 178-188 ◽  
Author(s):  
Libor Mrázek ◽  
Ján Žabka ◽  
Zdeněk Dolejšek ◽  
Zdeněk Herman
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Ground State ◽  
Scattering Method ◽  
Translational Energy ◽  
Centre Of Mass ◽  
Energy Distributions ◽  
Zener Model ◽  
Beam Scattering ◽  
Product Ions

The beam scattering method was used to investigate non-dissociative single-electron charge transfer between the molecular dication CO22+ and Ar or Ne at several collision energies between 3-10 eV (centre-of-mass, c.m.). Relative translational energy distributions of the product ions showed that in the reaction with Ar the CO2+ product was mainly formed in reactions of the ground state of the dication, CO22+(X3Σg-), leading to the excited states of the product CO2+(A2Πu) and CO2+(B2Σu+). In the reaction with Ne, the largest probability had the process from the reactant dication excited state CO22+(1Σg+) leading to the product ion ground state CO2+(X2Πg). Less probable were processes between the other excited states of the dication CO22+, (1∆g), (1Σu-), (3∆u), also leading to the product ion ground state CO2+(X2Πg). Using the Landau-Zener model of the reaction window, relative populations of the ground and excited states of the dication CO22+ in the reactant beam were roughly estimated as (X3Σg):(1∆g):(1Σg+):(1Σu-):(3∆u) = 1.0:0.6:0.5:0.25:0.25.

scholarly journals Ion trap operational modes for ion/ion reactions yielding high mass-to-charge product ions

2020 ◽  
Vol 451 ◽  
pp. 116313 ◽  
Author(s):  
Kenneth W. Lee ◽  
Gregory S. Eakins ◽  
Mark S. Carlsen ◽  
Scott A. McLuckey
Keyword(s):  
Ion Trap ◽  
High Mass ◽  
Product Ions ◽  
Operational Modes

scholarly journals Ethoxylated Butoxyethanol-BADGE Adducts—New Potential Migrants from Epoxy Resin Can Coating Material

Materials ◽  
2021 ◽  
Vol 14 (13) ◽  
pp. 3682
Author(s):  
Monika Beszterda ◽  
Małgorzata Kasperkowiak ◽  
Magdalena Frańska ◽  
Sandra Jęziołowska ◽  
Rafał Frański
Keyword(s):  
Mass Spectrometry ◽  
High Pressure ◽  
Liquid Chromatography ◽  
Epoxy Resin ◽  
Diglycidyl Ether ◽  
Ionization Mass ◽  
Coating Materials ◽  
Oxyethylene Unit ◽  
Bisphenol A Diglycidyl Ether ◽  
Product Ions

The acetonitrile extracts of can-coating materials have been analyzed by using high-pressure liquid chromatography/electrospray ionization-mass spectrometry (HPLC/ESI-MS). On the basis of detected ions [M + H]+, [M + NH4]+, [M + Na]+ and product ions, the ethoxylated butoxyethanol-bisphenol A diglycidyl ether adducts were identified in two of the analyzed extracts. Although the oxyethylene unit-containing compounds are widely used for the production of different kinds of materials, the ethoxylated species have not been earlier detected in epoxy resin can-coatings.

Investigation and Resolution of Interference in the LC-QTOF-MS Detection of 4-MePPP

2021 ◽  
Author(s):  
Darren R Allen ◽  
Christopher Warnholtz ◽  
Brett C McWhinney
Keyword(s):  
Reference Material ◽  
Spectral Data ◽  
False Positive ◽  
In Silico ◽  
Spectral Library ◽  
In Silico Fragmentation ◽  
False Positive Detection ◽  
Product Ions ◽  
Synthetic Cathinone ◽  
Recent Addition

Abstract An interference resulting in the false-positive detection of the synthetic cathinone 4-MePPP in urine was suspected following the recent addition of 4-MePPP spectral data to an LC-QTOF-MS drug library. Although positive detection criteria were achieved, it was noted that all urine samples suspected of containing 4-MePPP also concurrently contained high levels of tramadol and its associated metabolites. Using QTOF-MS software elucidation tools, candidate compounds for the suspected interference were proposed. To provide further confidence in the identity of the interference, in silico fragmentation tools were used to match product ions generated in the analysis with product ions predicted from the theoretical fragmentation of candidate compounds. The ability of the suspected interference to subsequently produce the required product ions for spectral library identification of 4-MePPP was also tested. This information was used to provide a high preliminary confidence in the compound identity prior to purchase and subsequent confirmation with certified reference material. A co-eluting isobaric interference was identified and confirmed as an in-source fragment of the tramadol metabolite, N,N-bisdesmethyltramadol. Proposed resolutions for this interference are also described and subsequently validated by retrospective interrogation of previous cases of suspected interference.

scholarly journals Molecular Species of the Alcohol Biomarker Phosphatidylethanol in Human Blood Measured by LC-MS

2009 ◽  
Vol 55 (7) ◽  
pp. 1395-1405 ◽  
Author(s):  
Anders Helander ◽  
Yufang Zheng
Keyword(s):  
Fatty Acid ◽  
Human Blood ◽  
Molecular Species ◽  
Quantitative Measurement ◽  
Selected Ion Monitoring ◽  
Blood Samples ◽  
Qualitative And Quantitative ◽  
Ms Analysis ◽  
Alcohol Biomarker ◽  
Product Ions

Abstract Background: The alcohol biomarker phosphatidylethanol (PEth) comprises a group of ethanol-derived phospholipids formed from phosphatidylcholine by phospholipase D. The PEth molecular species have a common phosphoethanol head group onto which 2 fatty acid moieties are attached. We developed an electrospray ionization (ESI) LC-MS method for qualitative and quantitative measurement of different PEth species in human blood. Methods: We subjected a total lipid extract of whole blood to HPLC gradient separation on a C4 column and performed LC-ESI-MS analysis using selected ion monitoring of deprotonated molecules for the PEth species and phosphatidylpropanol (internal standard). Identification of individual PEth species was based on ESI–tandem mass spectrometry (MS/MS) analysis of product ions. Results: The fatty acid moieties were the major product ions of PEth, based on comparison with PEth-16:0/16:0, 18:1/18:1, and 16:0/18:1 reference material. For LC-MS analysis of different PEth species in blood, we used a calibration curve covering 0.2–7.0 μmol/L PEth-16:0/18:1. The lower limit of quantitation of the method was <0.1 μmol/L, and intra- and interassay CVs were <9% and <11%. In blood samples collected from 38 alcohol patients, the total PEth concentration ranged between 0.1 and 21.7 μmol/L (mean 8.9). PEth-16:0/18:1 and 16:0/18:2 were the predominant molecular species, accounting for approximately 37% and 25%, respectively, of total PEth. PEth-16:0/20:4 and mixtures of 18:1/18:1 plus 18:0/18:2 (not separated using selected ion monitoring because of identical molecular masses) and 16:0/20:3 plus 18:1/18.2 made up approximately 13%, 12%, and 8%. Conclusions: This LC-MS method allows simultaneous qualitative and quantitative measurement of several PEth molecular species in whole blood samples.

Sign in / Sign up

Export Citation Format

Share Document