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Bruker Daltonik Gmbh

Jens Decker

Ralf Hartmer

Michael Kuhn

Marcus Macht

The invention relates to selection of precursors from a measured mobility-mass map for tandem mass spectrometry and is based on processing a peak list from measured signals and clustering these peaks in the mobility-mass space.

Precursor selection for data-dependent tandem mass spectrometry

The invention relates to the selection of the most favorable ion species for the acquisition of fragment ion mass spectra when the ionization creates biopolymers in different charge states. The invention proposes a particularly fast method of selecting the most favorable parent ions for fragmentation of the different biopolymers from mass spectra, where the ionization is by electrospray ionization (ESI) or other ionization methods which produce similarly diverse charge states and which, for each biopolymer, contain many signal patterns of ions of the different charge states and different isotopic compositions. The selection is carried out in such a way that it does not measure more than one ion species from one biopolymer. Moreover, the most favorable filter pass-band width for isolating an ion species for fragmentation can be stated in each case.

Acquisition of fragment ion mass spectra of biopolymers in mixtures

Aspects relate to methods for processing individual spectra acquired with a time-of-flight mass spectrometer to form a sum spectrum. The peak position of a peak and its total intensity are determined in an individual spectrum, and entries in an addition raster of the sum spectrum adjacent to the peak position are selected; then the total intensity is divided up into portions, wherein more of the total intensity is added to entries which are closer to the peak position than is added to entries which are further away from the peak position.

Processing of ion current measurements in time-of-flight mass spectrometers

A method for determining the masses of ions of a sample that contains a known class of biopolymers and is measured with a mass spectrometer having a statistical or pseudo-statistical error distribution includes acquiring a mass spectrum of ions of biopolymers of the known class in the sample in which mass spectrum the mass values of ions of biopolymers from the known class are concentrated in known distributions around a set of most probable mass values. At least one measured mass value of the mass spectrum is replaced by that one of a set of most probable mass values that is nearest to the measured mass value, or by a weighted average of the measured mass value averaged with that one of the set of most probable mass values that is nearest to the measured mass value.

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Bremen, Germany

Jens Decker