Mass‐specific selection of ions in Fourier‐transform ion cyclotron resonance mass spectrometry. Unintentional off‐resonance cyclotron excitation of selected ions

Heck, Albert J. R.; Koning, Leo J. de; Pinkse, Frans A.; Nibbering, Nico M. M.

doi:10.1002/rcm.1290050907

Cited by 122 publications

(92 citation statements)

References 48 publications

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“…(6)). The generation of 35C1-ions may be a result of low kinetic energy collision-induced dissociation (CID) caused by off-resonance excitation [45] of the translational motion of the CH35C13 -ions by the r.f. pulses applied in order to isolate these species (see also Section 2):…”

Section: Resultsmentioning

confidence: 99%

Formation, stability and structure of radical anions of chloroform, tetrachloromethane and fluorotrichloromethane in the gas phase

Staneke

Groothuis

Ingemann

et al. 1995

International Journal of Mass Spectrometry and Ion Processes

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UvA-DARE is a service provided by the library of the University of Amsterdam (http://dare.uva.nl) UvA-DARE (Digital Academic Repository)Formation, stability and structure of radical anions of chloroform, tetrachloromethane and fluorotrichloromethane in the gas phase Staneke, P.O.; Groothuis, G.; Ingemann Jorgensen, S.; Nibbering, N.M.M. Disclaimer/Complaints regulationsIf you believe that digital publication of certain material infringes any of your rights or (privacy) interests, please let the Library know, stating your reasons. In case of a legitimate complaint, the Library will make the material inaccessible and/or remove it from the website. Please Ask the Library: http://uba.uva.nl/en/contact, or a letter to: Library of the University of Amsterdam, Secretariat, Singel 425, 1012 WP Amsterdam, The Netherlands. You will be contacted as soon as possible. AbstractThe gas-phase reactions of the CH2S'-radical anion with chloroform, tetrachloromethane, and fluorotrichloromethane (CXC13; X = H, D, C1 and F) have been studied using Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. The primary reactions lead to minor amounts of the molecular radical anions of the halomethanes in addition to CHzSC1-and CI-, which are formed as the major product ions. The initial step is suggested to be electron transfer with formation of a [CHzS q-CXCI;-] ion/molecule complex, which may dissociate to the radical anion of the halomethane or react further to yield a [CH2S + C1-+ CXC1½-] complex prior to the generation of the C1-or CH2SC1-ions. The radical anions of CHC13 and CC14 react with the parent compounds to yield CHC14 and CCI;-ions, respectively, whereas CFClj transfer a C1 ion only to the CHsSH molecules also present in the FT-ICR cell. On the basis of the facile occurrence of CI-transfer, the CXCIs-ions are proposed to exist in a structure which can be described as a chloride ion weakly bonded to a CXCI2 radical. The formation of the CXCIs-ions in the reaction with the CHzS'-radical anion places a lower limit of 45kJmo1-1 for the electron affinities of the CXC13 molecules. The occurrence of CI-transfer from the CHCI~ ion to the parent compound leads to an indicated upper limit of 75 kJmo1-1 for the electron affinity of chloroform. Similarly, the occurrence of C1-transfer from the CC1U ion to the parent compound is used to derive an upper limit of 110 kJ mol 1 for the electron affinity of tetrachloromethane. These upper limits suggest that previously reported values overestimate the electron affinities of chloroform and tetrachloromethane.

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Section: Resultsmentioning

confidence: 99%

Formation, stability and structure of radical anions of chloroform, tetrachloromethane and fluorotrichloromethane in the gas phase

Staneke

Groothuis

Ingemann

et al. 1995

International Journal of Mass Spectrometry and Ion Processes

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“…Ion motion during the off-resonance excitation has been studied by several groups (Heck et al, 1991;Shin & Han, 1997;Schnier, Jurchen, & Williams, 1999). In the absence of collisions ions undergo repetitive acceleration/deceleration as a coherent packet.…”

Section: Irradiation Timementioning

confidence: 99%

Activation of large lons in FT‐ICR mass spectrometry

Laskin

Futrell

2004

Mass Spectrometry Reviews

177

146

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The advent of soft ionization techniques, notably electrospray and laser desorption ionization methods, has enabled the extension of mass spectrometric methods to large molecules and molecular complexes. This both greatly extends the applications of mass spectrometry and makes the activation and dissociation of complex ions an integral part of these applications. This review emphasizes the most promising methods for activation and dissociation of complex ions and presents this discussion in the context of general knowledge of reaction kinetics and dynamics largely established for small ions. We then introduce the characteristic differences associated with the higher number of internal degrees of freedom and high density of states associated with molecular complexity. This is reflected primarily in the kinetics of unimolecular dissociation of complex ions, particularly their slow decay and the higher energy content required to induce decomposition-the kinetic shift (KS). The longer trapping time of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) significantly reduces the KS, which presents several advantages over other methods for the investigation of dissociation of complex molecules. After discussing general principles of reaction dynamics related to collisional activation of ions, we describe conventional ways to achieve single-and multiple-collision activation in FT-ICR MS. Sustained off-resonance irradiation (SORI)-the simplest and most robust means of introducing the multiple collision activation process-is discussed in greatest detail. Details of implementation of this technique, required control of experimental parameters, limitations, and examples of very successful application of SORI-CID are described. The advantages of high mass resolving power and the ability to carry out several stages of mass selection and activation intrinsic to FT-ICR MS are demonstrated in several examples. Photodissociation of ions from small molecules can be effected using IR or UV/vis lasers and generally requires tuning lasers to specific wavelengths and/ or utilizing high flux, multiphoton excitation to match energy levels in the ion. Photodissociation of complex ions is much easier to accomplish from the basic physics perspective. The quasi-continuum of vibrational states at room temperature makes it very easy to pump relatively large amounts of energy into complex ions and infrared multiphoton dissociation (IRMPD) is a powerful technique for characterizing large ions, particularly biologically relevant molecules. Since both SORI-CID and IRMPD are slow activation methods they have many common characteristics. They are also distinctly different because SORI-CID is intrinsically selective (only ions that have a cyclotron frequency close to the frequency of the excitation field are excited), whereas IRMPD is not (all ions that reside on the optical path of the laser are excited). There are advantages and disadvantages to each technique and in many applications they complement each other. In contrast wi...

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“…Also in Table 1 are the BIRD rate constants obtained when (Ade) 2 (H 2 O) 3 K ϩ or (Ade) 2 (H 2 O) 2 K ϩ were isolated in the ICR cell using correlated harmonic excitation fields (CHEF) [30,31]. It is not expected that the BIRD rate constants are affected by the isolation process.…”

Section: Resultsmentioning

confidence: 99%

Solvation of electrosprayed ions in the accumulation/collision hexapole of a hybrid Q-FTMS

Rajabi

Easterling

Fridgen

2009

J. Am. Soc. Mass Spectrom.

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In an effort to spectroscopically determine the structures of solvated ions composed of nucleic acid bases and amino acids, methods for their gas-phase synthesis have been studied. Ions were electrosprayed and solvated in the accumulation cell of a hybrid Q-FTICR filled with methanol or water vapor at ϳ10 Ϫ2 bar. There were subsequently transferred to the FTICR cell at 10 Ϫ10 mbar. Following their isolation in the FTICR, they can be investigated by studying their unimolecular blackbody infrared radiative dissociation (BIRD) or infrared multiple photon dissociation (IRMPD) spectroscopy. The IRMPD spectra for (Ade) 2 Li ϩ and (Ade) 2 Li(H 2 O) ϩ are reported and compared as well as BIRD rate constants for multiply solvated and metalated adenine ions. . The structural properties are typically deduced from fundamental studies of their thermochemistries, reactivities, and more recently, the vibrational spectroscopy of gaseous ions [2]. The ultimate purpose and challenge for studying the physical properties of sequentially solvated ions is to extrapolate to, or contrast these properties with, those in the solution phase especially for biologically interesting ions. Mass spectrometry has become a powerful technique for investigating biomolecules following the development of electrospray ionization (ESI) [3] and matrix-assisted laser desorption/ionization (MALDI) [4 -6]. Noncovalently bound biological complexes can be transferred from aqueous solutions to the gas phase by ESI for further study of the completely desolvated complex. In some instances a small amount of solvated ions have been reported from electrospray allowing the structure, reactivity and thermochemistry of the hydrated ions to be studied [7]. Lee et al.[8] studied extensively hydrated peptides from an electrospray source by operating the capillary at room-temperature, with no nebulizer or drying gas, and optimizing the potentials in the electrospray source. These ions were found to be cooled to between 130 and 150 K by evaporation of water without drying gas, effectively freezing the biomolecules. RodriguezCruz et al. [9] studied doubly protonated gramicidin S ions with up to 50 water molecules attached in a modified instrument with a home-built electrospray source equipped with a heated capillary inlet. They formed the ions under "gentle" electrospray conditions and later described two possible mechanisms for formation of hydrated ions by ESI [10], condensation of solvent onto ions due to expansion inside the ESI interface, and/or solvent evaporation of more extensively hydrated ions or electrospray droplets. The extent of hydration of gas-phase gramicidin S (M ϩ 2H) 2ϩ ions was observed to decrease with an increase in the temperature of the capillary.Rodriguez-Cruz and Williams [11] also studied solvent exchange reactions of hydrated divalent alkaline earth metals with benzene by ESI Fourier-Transform mass spectrometry (FTMS) at room temperature. Aqueous solutions of metal chloride salts were introduced to the mass spectrometer by nanoelectrospray. Me...

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Mass‐specific selection of ions in Fourier‐transform ion cyclotron resonance mass spectrometry. Unintentional off‐resonance cyclotron excitation of selected ions

Cited by 122 publications

References 48 publications

Formation, stability and structure of radical anions of chloroform, tetrachloromethane and fluorotrichloromethane in the gas phase

Formation, stability and structure of radical anions of chloroform, tetrachloromethane and fluorotrichloromethane in the gas phase

Activation of large lons in FT‐ICR mass spectrometry

Solvation of electrosprayed ions in the accumulation/collision hexapole of a hybrid Q-FTMS

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