title: A novel workflow control system for Fourier transform ion cyclotron resonance mass spectrometry allows for unique on-the-fly data-dependent decisions.
abstract: 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.
authors.affiliation: FOM Institute for Atomic and Molecular Physics (FOM-AMOLF), Kruislaan 407, Amsterdam, The Netherlands.
authors.forename: Ioana M
authors.initials: IM
authors.lastname: Taban
authors.forename: Yuri E M
authors.initials: YE
authors.lastname: van der Burgt
authors.forename: Marc
authors.initials: M
authors.lastname: Duursma
authors.forename: Zoltán
authors.initials: Z
authors.lastname: Takáts
authors.forename: Marco
authors.initials: M
authors.lastname: Seynen
authors.forename: Marco
authors.initials: M
authors.lastname: Konijnenburg
authors.forename: Anton
authors.initials: A
authors.lastname: Vijftigschild
authors.forename: Idsart
authors.initials: I
authors.lastname: Attema
authors.forename: Ron M A
authors.initials: RM
authors.lastname: Heeren
mesh_terms: D000595:Amino Acid Sequence; D002853:Chromatography, Liquid / Q000379:methods; D017357:Cyclotrons; D003658:Decision Making, Computer-Assisted; D008969:Molecular Sequence Data; D010446:Peptide Fragments / Q000737:chemistry; D010449:Peptide Mapping; D012697:Serine Endopeptidases / Q000737:chemistry; D021241:Spectrometry, Mass, Electrospray Ionization / Q000295:instrumentation* / Q000379:methods; D017550:Spectroscopy, Fourier Transform Infrared / Q000295:instrumentation* / Q000379:methods; D053719:Tandem Mass Spectrometry
chemical_list: D010446:Peptide Fragments; D012697:Serine Endopeptidases; C032923:microbial serine proteinases