Collision induced dissociation of protonated N-nitrosodimethylamine by ion trap mass spectrometry: Ultimate carcinogens in gas phase

2009 ◽  
Vol 288 (1-3) ◽  
pp. 75-83 ◽  
Author(s):  
Natalia Kulikova ◽  
Michael Baker ◽  
Wojciech Gabryelski
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Ion Trap ◽  
Collision Induced Dissociation ◽  
Ion Trap Mass Spectrometry

Electrospray ionization mass spectrometry of the cerium(III)-phosphomolybdate complex (NH4)11Ce(PMo11O39)2

2010 ◽  
Vol 1264 ◽  
Author(s):  
Travis Henry Bray ◽  
Roy Copping ◽  
David K. Shuh ◽  
John Gibson
Keyword(s):  
Mass Spectrometry ◽  
Electrospray Ionization ◽  
Gas Phase ◽  
Ion Trap ◽  
Quadrupole Ion Trap ◽  
Collision Induced Dissociation ◽  
Ion Trap Mass Spectrometry ◽  
Ionization Mass ◽  
Naturally Occurring ◽  
Gas Phase Ions

AbstractElectrospray ionization quadrupole ion trap mass spectrometry of the ammonium lanthanide(III) phosphomolybdate complex (NH4)11Ce(III)(PMo11O39)2 has been conducted revealing the Ce-POM complexes H2Ce(III)P2Mo22O753- and Ce(III)PMo11O382- as the primary Ce species in 10 mM solutions. From the complex isotopic fingerprints produced through the assembly of multiple molybdenum atoms, a transition metal with seven naturally occurring isotopes, the identities of larger ions were confirmed via successive collision induced dissociation (CID) studies of the gas phase ions. The result of these CID studies was the production of smaller ions with reduced molybdenum content, allowing for comparison between calculated and experimental isotopic distributions. CID studies also provided insights into favored fragmentation pathways. These studies provide a basis to explore speciation and ESI behavior of actinide cluster complexes.

scholarly journals Formation and reactions of the 1, 8-naphthyridine (napy) ligated geminally dimetallated phenyl complexes [(napy)Cu2(Ph)]+, [(napy)Ag2(Ph)]+ and [(napy)CuAg(Ph)]+

2019 ◽  
Vol 25 (1) ◽  
pp. 30-43 ◽  
Author(s):  
Qiuyan Jin ◽  
Jiaye Li ◽  
Alireza Ariafard ◽  
Allan J Canty ◽  
Richard AJ O’Hair
Keyword(s):  
Density Functional Theory ◽  
Gas Phase ◽  
Density Functional ◽  
Ion Trap ◽  
Density Functional Theory Calculations ◽  
Collision Induced Dissociation ◽  
Ion Trap Mass Spectrometry ◽  
Functional Theory ◽  
Organometallic Cations ◽  
Gas Phase Ion

Gas-phase ion trap mass spectrometry experiments and density functional theory calculations have been used to examine the routes to the formation of the 1,8-naphthyridine (napy) ligated geminally dimetallated phenyl complexes [(napy)Cu2(Ph)]+, [(napy)Ag2(Ph)]+ and [(napy)CuAg(Ph)]+ via extrusion of CO2 or SO2 under collision-induced dissociation conditions from their corresponding precursor complexes [(napy)Cu2(O2CPh)]+, [(napy)Ag2(O2CPh)]+, [(napy)CuAg(O2CPh)]+ and [(napy)Cu2(O2SPh)]+, [(napy)Ag2(O2SPh)]+, [(napy)CuAg(O2SPh)]+. Desulfination was found to be more facile than decarboxylation. Density functional theory calculations reveal that extrusion proceeds via two transition states: TS1 enables isomerization of the O, O-bridged benzoate to its O-bound form; TS2 involves extrusion of CO2 or SO2 with the concomitant formation of the organometallic cation and has the highest barrier. Of all the organometallic cations, only [(napy)Cu2(Ph)]+ reacts with water via hydrolysis to give [(napy)Cu2(OH)]+, consistent with density functional theory calculations which show that hydrolysis proceeds via the initial formation of the adduct [(napy)Cu2(Ph)(H2O)]+ which then proceeds via TS3 in which the coordinated H2O is deprotonated by the coordinated phenyl anion to give the product complex [(napy)Cu2(OH)(C6H6)]+, which then loses benzene.

Gas-phase synthesis and reactivity of Cu+–benzyne complexes

2014 ◽  
Vol 50 (79) ◽  
pp. 11668-11671 ◽  
Author(s):  
Yunfeng Chai ◽  
Shanshan Shen ◽  
Guofeng Weng ◽  
Yuanjiang Pan
Keyword(s):  
Mass Spectrometry ◽  
Electrospray Ionization ◽  
Gas Phase ◽  
Ion Trap ◽  
Ion Trap Mass Spectrometry ◽  
Phase Synthesis ◽  
Gas Phase Synthesis ◽  
Benzyne Complexes

Cu+–benzyne complexes bearing ligands (L) were synthesized and their addition reactivity was studied in the gas phase using electrospray ionization ion trap mass spectrometry.

Gas phase ion-molecule reactions in mixtures of silicon and germanium hydrides by ion trap mass spectrometry

1993 ◽  
Vol 12 (11) ◽  
pp. 4516-4522 ◽  
Author(s):  
Lorenza Operti ◽  
Maurizio Splendore ◽  
Gian Angelo Vaglio ◽  
Paolo Volpe
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Ion Trap ◽  
Ion Trap Mass Spectrometry ◽  
Ion Molecule Reactions ◽  
Silicon And Germanium ◽  
Gas Phase Ion

Tautomerism of uracil and related compounds: A mass spectrometry study

2017 ◽  
Vol 24 (2) ◽  
pp. 214-224 ◽  
Author(s):  
Diego D Colasurdo ◽  
Matías N Pila ◽  
Dacio A Iglesias ◽  
Sergio L Laurella ◽  
Danila L Ruiz
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Mass Spectra ◽  
Tautomeric Form ◽  
Ion Trap ◽  
Theoretical Calculations ◽  
Ion Trap Mass Spectrometry ◽  
Mass Spectrometry Study ◽  
Related Compounds ◽  
Substituted Uracils

It has been demonstrated that uracil has a preponderant tautomeric form, but it is also known that different tautomers co-exist in this equilibrium. In this work, mass spectrometry is used as a helpful tool to analyse the equilibria, using derivative compounds to forbid the presence of some tautomers and ion trap mass spectrometry to follow relevant fragmentation pathways. Theoretical calculations were performed to confirm tautomers abundance by energy minimization in gas phase. Analysis of mass spectra of uracil, three methyl-substituted uracils, 2-thiouracil and three benzouracils suggest that uracil exists mainly as three tautomers in gas phase: one major structure that corresponds to the classical structure of uracil (pyrimidine-2,4(1H,3H)-dione) bearing two carbonyls and two NH moieties, and two minor enolic forms (4-hydroxypyrimidin-2(1H)-one and 2-hydroxypyrimidin-4(1H)-one). Such tautomeric distribution is supported by theoretical calculations, which show that they are the three most stable tautomers.

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