Mass spectrum ion trajectory

By wei xu1, William Chappell2, Zheng Ouyang2, Xufeng Wang2

1. ECE 2. Purdue University

Ion tracing program for ion trap Mass Spectrometry chemical sensing

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Version 1.1.2 - published on 14 Nov 2014

doi:10.4231/D3DZ03290 cite this

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This ion tracing program uses the 4th order Runge-Kutta Method to solve the ion trajectory inside different types of ion traps with a simple space charge model, including ideal Quadrupole Ion Trap (QIT), Cylindrical Ion Trap (CIT) and Rectilinear Ion Trap (RIT). Using this tool, user can quickly simulate the performance of different types of ion traps. Ion trajectory, Kinetic energy, Ion ejection efficiency and Mass spectrum will be available after simulation.

In the program user has the choices of ideal QIT, optimized CIT and optimized RIT. The dimensions of the ideal QIT can be modified arbitrarily by changing the value of r0 and z0, while the CIT and RIT dimensions can be scale up or scale down by modifying the scale factor.

User need to keep in mind that the applied Radio Frequency (RF) signal frequency and cross section dimensions of any type of ion trap are directly related to the ejection voltage of certain types of ions. The following equations roughly shows this relationship.

RF Ejection Voltage ~ Cross section area of the ion trap * Applied RF frequency^2 * mass charge ratio of the ions

or RF Ejection Voltage ~ scale factor^2 * f(RF)^2 * m/z

Please make sure the values of your inputs (Scale factor, RF frequency, RF sweeping slope and RF start voltage) make sense for the simulation.

Note: the space charge model will slow down the whole simulation process, so it is not recommended if the total number of ions is over 1000.

Cite this work

Researchers should cite this work as follows:

  • wei xu; William Chappell; Zheng Ouyang; Xufeng Wang (2014), "Mass spectrum ion trajectory," (DOI: 10.4231/D3DZ03290).

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