Real-time experiments involving fragmentation of the precursor molecular ion of n-butylbenzene (m/z 134) to produce product ions C7H+7 (m/z 91) and C7H+8 (m/z 92), were used to observe the motion of ions in a commercial quadrupole ion trap. Initially, ghost resonance peaks were observed for excitation of the precursor ion at qz values of 0.4 and 0.5 on the qz axis of the stability diagram. Further experiments involving the generation of two-dimensional contour plots confirmed that these ghost peaks, which were in agreement with mathematical equations describing the motion of ions in a quadrupole field, arose due to waveboard artifacts. Two-dimensional contour surface plots showed non-linear secular frequency canyons from a qz value of 0.5 to higher values corresponding with higher drive radio frequency (rf) voltages on the stability diagram. This observation confirmed that ions are subjected to non-linear effects in this mass scan range. The octapole and hexapole field lines were observed at qz values of 0.65 and 0.78, respectively.
SplendoreM.LausevicM.LausevicZ.MarchR.E., “Resonant Excitation and/or Ejection of Ions Subjected to DC and RF fields in a Commercial Quadrupole Ion Trap”, Rapid Commun. Mass Spectrom.11, 228 (1997).
2.
MarchR.E.HughesE.J., Quadrupole Storage Mass Spectroscopy.Wiley-Interscience, New York, USA (1989).
AlheitR.KleineidamS.VedelF.VedelM.WerthG., “Higher Order Resonances in a Paul Trap”, Int. J. Mass Spectrom. Ion Processes154, 155 (1996).
5.
MarchR.E.ToddJ.F.J., Practical Aspects of Ion Trap Mass Spectrometry: Fundamentals of Ion Trap Mass Spectrometry, A CRC Series Modern Mass Spectrometry, Vol. 1. CRC Press, Boca Raton, USA, p. 10 (1995).
6.
WilliamsJ.D.CoxK.A.CooksR.G.McLuckeyS.A.HartK.J.GoeringerD.E., “Resonance Ejection Ion Trap Mass Spectrometry and Non-Linear Field Contributions: The Effect of Scan Direction on Mass Resolution”, Anal. Chem.66, 725 (1994).
7.
WangY.FranzenJ.WanczekK.P., “The Non-Linear Resonance Ion Trap. Part 2. A General Theoretical Analysis”, Int. J. Mass Spectrom. Ion Processes124, 125 (1993).
8.
DawsonP.H.WhettenN.R., “Mass Spectrometry Using R.F. Quadrupole Fields”, Adv. Electron. El. Phys.27, S60 (1969).
9.
FavreA.GonnetF.TabetJ.C., “Perturbation of Ion Trajectories by Resonant Excitation Leads to Occurrence of Ghost Peaks”, Rapid Commun. Mass Spectrom.15(6), 446 (2001).
10.
KjærgaardN.DrewsenM., “Crystalline Beam Emulations in a Pulse-Excited Linear Paul Trap”, Phys. Plasmas8(4), 1371 (2001).
11.
GudjonsT.WerthG., “Influence of Anharmonicities of a Paul Trap Potential on the Motion of Stored Ions”, Appl. Phys. B: Lasers and Optics65, 57 (1997).
12.
VedelF.VedelM., “Nonlinear Effects in the Detection of Stored Ions”, Phys. Rev. A41(1), 41 (1990).
13.
ForbesM.W.SharifiM.CrowleyT.MarchR.E., “Simulation of Ion Trajectories in a Quadrupole Ion Trap: A Comparison of Three Simulation Programs”, J. Mass Spectrom.34, 1219 (1999).
14.
NappiM.WeilC.ClevenC.D.HornL.A.WollnikH.CooksR.G., “Visual Representations of Simulated Three-Dimensional Ion Trajectories in an Ion Trap Mass Spectrometer”, Int. J. Mass Spectrom.161(1–3), 77 (1997).
15.
WeilC.NappiM.ClevenC.D.WollnikH.CooksR.G., “Multiparticle Simulation of Ion Injection into the Quadrupole Ion Trap Under the Influence of Helium Buffer Gas Using Short Injection Times and DC Pulse Potentials”, Rapid Commun. Mass Spectrom.10, 742 (1996).
16.
BeatyE.C., “Calculated Electrostatic Properties of Ion Traps”, Phys. Rev. A33, 3645 (1986).
17.
ToddJ.F., “Ion Trap Mass-spectrometer–Past, Present and Future”, J. Mass Spectrom. Rev.10, 3 (1991).
18.
ReiserH.-P.KaiserR.E.SavickasP.J.CooksR.G., “Measurement of Kinetic Energies of Ions Ejected From a Quadrupole Ion Trap”, Int. J. Mass Spectrom. Ion Proc.106, 237 (1991).
19.
ReiserH.-P.JulianR.CooksR.G., “A Versatile Method of Simulation of the Operation of Ion Trap Mass Spectrometer”, Int. J. Mass Spectrom. Ion Processes121, 49 (1992).
20.
JulianR.ReiserH.-P.CooksR.G., “Large Scale Simulation of Mass Spectrometry Reported with a Quadrupole Ion Trap Mass Spectrometer”, Int. J. Mass Spectrom. Ion Processes123, 85 (1993).
21.
LondryF.A.HagerJ.W., “Mass Selective Axial Ion Ejection from a Linear Quadrupole Ion Trap”, J. Am. Soc. Mass Spectrom.14(10), 1130 (2003).
22.
SudakovM.NikolaevE., “Ion Motion Stability Diagram for Distorted Square Waveform Trapping Voltage”, Eur. J. Mass Spectrom.8, 191 (2002).
23.
GoeringerD.E.McLuckeyS.A., “Relaxation of Internally Excited High Mass Ions Simulated Under Typical Quadrupole Ion Trap Storage Conditions”, Int. J. Mass Spectrom.17, 163 (1998).
24.
PerrierP.NguemaT.CaretteM.AndreJ.ZeregaY.BrincourtG.CatellaR., “New Operating Mode of a Quadrupole Ion Trap In Mass Spectrometry 4. Simulation Studies”, Int. J. Mass Spectrom. Ion Processes171(1), 19 (1997).
25.
BuiH.A.CooksR.G., “Windows Version of the Ion Trap Simulation Program, ITSIM: A Powerful Heuristic and Predictive Tool in Ion Trap Mass Spectrometry”, J. Mass Spectrom.33, 297 (1998).
26.
MarchR.E.“Quadrupole Ion Trap Mass Spectrometry: Theory, Simulation, Recent Developments and Applications”, Rapid Commun. Mass Spectrom.12, 1543 (1998).
27.
SplendoreM.LondryF.A.MarchR.E.MorrisonR.J.S.PerrierP.AndréJ., “A Simulation Study of Ion Kinetic Energies During Resonant Excitation In a Stretched Ion Trap”, Int. J. Mass Spectrom. Ion Processes156, 11 (1996).
28.
HorvathG.Zs.K.Hernandez-PozosJ.L.DholakiaK.RinkJ.SegalD.M.ThompsonR.C., “Ion Dynamics in Perturbed Quadrupole Ion Traps”, Phys. Rev. A57(3), 1944 (1998).
29.
PlomleyJ.B.LondryF.A.MarchR.E., “The Consecutive Fragmentation of n-Butylbenzene in a Quadrupole Ion Trap”, Rapid Commun. Mass Spectrom.10, 200 (1995).
30.
CrowleyT.R.ZemriboR.LynnB.C.Jr, “Waveform Activated Rearrangement of n-butylbenzene Molecular Ions During Tandem Mass Spectrometry in the Quadrupole Ion Trap”, Int. J. Mass Spectrom. Ion Processes190/191, 265 (1999).
31.
HorowitzP.WinfieldH., The Art of Electronics, Second Edition. Cambridge University Press, Cambridge, UK (1995).
