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A novel workflow control system for Fourier transform ion cyclotron resonance mass spectrometry allows for unique on‐the‐fly data‐dependent decisions
Author(s) -
Taban Ioana M.,
van der Burgt Yuri E. M.,
Duursma Marc,
Takáts Zoltán,
Seynen Marco,
Konijnenburg Marco,
Vijftigschild Anton,
Attema Idsart,
Heeren Ron M. A.
Publication year - 2008
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.3440
Subject(s) - fourier transform ion cyclotron resonance , chemistry , workflow , mass spectrometry , ion cyclotron resonance , top down proteomics , tandem mass spectrometry , electrospray , fourier transform , dissociation (chemistry) , electrospray ionization , chromatography , analytical chemistry (journal) , ion , protein mass spectrometry , computer science , cyclotron , database , physics , organic chemistry , quantum mechanics
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. Copyright © 2008 John Wiley & Sons, Ltd.