SIMION analysis of a high performance linear accumulation octopole with enhanced ejection capabilities

Taban, Ioana M.; McDonnell, Liam A.; Römpp, Andreas; Cerjak, I.; Heeren, Ron M. A.

doi:10.1016/j.ijms.2005.05.004

Cited by 18 publications

(15 citation statements)

References 57 publications

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“…With the development of computer technology and simulation technique, many simulation models have been developed to describe the ion motion in electric field [33][34][35][36] or gas flow field [37,38], separately. Some simulation packages also have been developed, such as ITSIM [9,[39][40][41], GEMIOS [42,43], microDMX [44] and SIMION [45] for the ion trajectory simulation.…”

Section: Introductionmentioning

confidence: 99%

Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry

Han

Cheng

et al. 2012

International Journal of Mass Spectrometry

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Section: Introductionmentioning

confidence: 99%

Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry

Han

Cheng

et al. 2012

International Journal of Mass Spectrometry

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“…The ejection electrodes of the linear octopole ion trap in the system have to be switched on and off very fast to get the desired sensitivity increase 25. A new octopole switching circuit was required, as the high‐voltage power supplies do not provide a pulse rise time that was sufficiently short.…”

Section: Methodsmentioning

confidence: 99%

“…All the peptide mass measurements were performed in the positive ion mode using a modified Bruker APEX 7.0 T FTICR mass spectrometer equipped with a 7 T superconducting magnet and an infinity cell 32. The ions generated by the ESI source are externally accumulated in a linear octopole ion‐trap25 (typical accumulation time 0.4 s) prior to transfer to the ICR cell via two RF‐only quadrupole ion guides. The ions were trapped in the ICR cell using gas‐assisted dynamic trapping.…”

Section: Methodsmentioning

confidence: 99%

A novel workflow control system for Fourier transform ion cyclotron resonance mass spectrometry allows for unique on‐the‐fly data‐dependent decisions

Taban

Burgt

Duursma

et al. 2008

Rapid Comm Mass Spectrometry

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In this paper a novel workflow-based data acquisition and control system for Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) is presented that facilitates a fast on-the-fly decision-making process for a wide variety of data-dependent experiments. Several new workflow implementations demonstrate the flexibility and benefit of this approach for rapid dynamic experimental design on a chromatographic timescale. The different sequence, evaluation, decision and monitoring modules are described using a selected set of examples. During a tandem liquid chromatography (LC)/FTICR-MS experiment the system is used to dynamically switch between various dissociation techniques such as electron capture dissociation (ECD) and sustained off-resonance irradiation (SORI) depending on the charge state of a tryptic peptide peak. The use of this workflow-based system for imaging FTICR-MS using a desorption electrospray ionization (DESI) source demonstrates the possibility of external control of the workflow by feedback from an imaging sample stage.

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“…All the peptide mass measurements were performed in the positive ion mode using a modified APEX 7.0eT FTICR-MS (Bruker Instruments, Billerica, MA), equipped with a 7 T superconducting magnet and an infinity cell [17]. The ions generated by the electrospray ion source are accumulated in an octopole ion-trap (typical accumulation time 0.4 s) before being transferred to the ICR cell by two quadrupole ion guides.…”

Section: Nanolc-fticr-msmentioning

confidence: 99%

“…The results of the nanoLC-FTICR-MS experiments are displayed in the AWE3D module (Arbitrary Waveform Editor), which is part of the AWTools software package [17]. This software is written in Cϩϩ and can be used for a first evaluation of chromatographic separation, mass spectral resolution, and sensitivity/intensity.…”

Section: Nanolc-fticr-msmentioning

confidence: 99%

Parallel processing of large datasets from NanoLC-FTICR-MS measurements

Burgt

Taban

Konijnenburg

et al. 2007

J. Am. Soc. Mass Spectrom.

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A new approach for automatic parallel processing of large mass spectral datasets in a distributed computing environment is demonstrated to significantly decrease the total processing time. The implementation of this novel approach is described and evaluated for large nanoLC-FTICR-MS datasets. The speed benefits are determined by the network speed and file transfer protocols only and allow almost real-time analysis of complex data (e.g., a 3-gigabyte raw dataset is fully processed within 5 min). Key advantages of this approach are not limited to the improved analysis speed, but also include the improved flexibility, reproducibility, and the possibility to share and reuse the pre-and postprocessing strategies. The storage of all raw data combined with the massively parallel processing approach described here allows the scientist to reprocess data with a different set of parameters (e.g., apodization, calibration, noise reduction), as is recommended by the proteomics community. This approach of parallel processing was developed in the Virtual Laboratory for e-Science (VL-e), a science portal that aims at allowing access to users outside the computer research community. As such, this strategy can be applied to all types of serially acquired large mass spectral datasets such as LC-MS, LC-MS/MS, and high-resolution imaging MS results. (J Am Soc Mass Spectrom 2007, 18, 152-161)

show abstract

SIMION analysis of a high performance linear accumulation octopole with enhanced ejection capabilities

Cited by 18 publications

References 57 publications

Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry

Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry

A novel workflow control system for Fourier transform ion cyclotron resonance mass spectrometry allows for unique on‐the‐fly data‐dependent decisions

Parallel processing of large datasets from NanoLC-FTICR-MS measurements

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