Thermo Finnigan LLC

Thermo Fisher Scientific (bremen) Gmbh

Thermo Fisher Scientific Gmbh

Robert Malek

Alexander Alekseevich Makarov

Oliver Lange

Reinhold Pesch

Viacheslav I Kozlovskiy

Stevan Roy Horning

Viacheslav Kozlovskiy

Eduard V Denisov

Gerhard Jung

Hans Pfaff

Katja Tham

Kai Fritzemeier

Christoph Henrich

Frank Berg

John E P Syka

John E Syka

Hans-Jürgen Schlüter

Frank Czemper

Andreas Wieghaus

Silke Seedorf

Kai Jurgen Meyer

Oliver C/O Thermo Fischer Scientific Gmbh Lange

Alexander Alekseevich C/O Thermo Fischer Scientific Gmbh Makarov

Hans-Jurgen Schluter

A method for deconvoluting measured mass spectrometry data, the method comprising: receiving measured mass spectrometry data representing at least two molecular moieties each having a respective isotopic pattern, wherein at least two of said isotopic patterns overlap; iteratively filling a set of mass channels to produce an approximated version of the mass spectrometry data, said iterative filling comprising a number of iterations, each iteration comprising filling one or more of the mass channels with a chunk of intensity data according to the isotopic pattern of a respective one of the two or more molecular moieties selected for said iteration; terminating said iterative filling when a fitness criterion is met indicating a fit of the approximated version of the mass spectrometry data to the measured mass spectrometry data; and determining the amount of each molecular moiety that produced the measured mass spectrometry data based on the total amount of fills according to the respective isotopic pattern of said molecular moiety.

Deconvolution of mass spectrometry data

A computer implemented method for compressing mass spectrometry data, the method comprising decomposing the mass spectrometry data of a mass stream emitted from a separation device as a function of a separation parameter into a plurality of mass traces, wherein the mass spectrometry data are generated by analysis in a mass spectrometer; identifying erroneous mass traces in the plurality of mass traces by applying an event detection algorithm to each of the plurality of mass traces; and forming a compressed version of the mass spectrometry data from the mass traces and the mass spectrometry data corresponding to the identified erroneous mass traces.

Systems and methods for extracting mass traces

A method of extracting a mass trace from mass spectrometry data of a mass stream emitted from a separation device as a function of a separation parameter, the method comprising, receiving the mass spectrometry data, wherein the mass spectrometry data comprise a plurality of mass spectra each obtained for respective values of the separation parameter; identifying, from the plurality of mass spectra, a sequence of three or more intensity peaks that are ordered according to the separation parameter, wherein said identifying the sequence of intensity peaks comprises, selecting an initial intensity peak at an initial mass, and for each other intensity peak, selecting said intensity peak based on at least the mass of an adjacent intensity peak in the sequence of intensity peaks, the method further comprising, providing a mass trace, for a given emitted compound of the mass stream, from the identified sequence of intensity peaks.

An ion transfer arrangement for transporting ions between higher and lower pressure regions of the mass spectrometer comprises an ion transfer conduit. The conduithas an inlet opening towards a relatively high pressure chamberand an outletopening towards a relatively low pressure chamber. The conduitalso has at least one side wall surrounding an ion transfer channel. The side wall includes a plurality of aperturesformed in the longitudinal direction of the side wall so as to permit a flow of gas from within the ion transfer channelto a lower pressure region outside of the side wall of the conduit

Efficient atmospheric pressure interface for mass spectrometers and method

Sample excitation apparatus for a spectrometric analyzer, the apparatus comprising a sample introduction stage comprising an electrospray nebulizer for generating a nebulized sample; and a sample excitation stage arranged to operate in an atmospheric pressure environment and to receive and excite the nebulized sample in a sample excitation region for spectrometric analysis thereof. 'Excitation' includes ionization in ICP and MIP, flame excitation in AES, and optical excitation in AAS. For example, analyte solution () is fed out of the outlet end of a capillary (), to a plasma source. A potential difference is applied between the capillary, its outlet end or the analyte solution and an opposing effective (counter) electrode, which may comprise a tube (), a grid (), or the plasma () itself, to promote formation of smaller droplets (). The pressure of the plasma source is similar to the pressure in the region of the capillary outlet end.

Sample excitation apparatus and method for spectroscopic analysis

This invention relates to a method of trapping ions and to an ion trapping assembly. In particular, the present invention has application in gas-assisted trapping of ions in an ion trap prior to a mass analysis of the ions in a mass spectrometer. The invention provides a method of trapping ions in a target ion trap of an ion trapping assembly that comprises a series of volumes arranged such that ions can traverse from one volume to the next, the volumes including the target ion trap, whereby ions are allowed to pass repeatedly through the volumes such that they also pass into and out from the target ion trap without being trapped. Potentials may be used to reflect the ions from respective ends of the ion trapping assembly. Optionally, a potential well and/or gas-assisted cooling may be used to cause the ions to settle in the target ion trap.

Ion trapping

A method of transporting gas and entrained ions between higher and lower pressure regions of a mass spectrometer comprises providing an ion transfer conduitbetween the higher and lower pressure regions. The ion transfer conduitincludes an electrode assemblywhich defines an ion transfer channel. The electrode assemblyhas a first set of ring electrodesof a first width D, and a second set of ring electrodes of a second width D(&#x2267;D) and interleaved with the first ring electrodes. A DC voltage of magnitude Vand a first polarity is supplied to the first ring electrodesand a DC voltage of magnitude Vwhich may be less than or equal to the magnitude of Vbut with an opposed polarity is applied to the second ring electrodes. The pressure of the ion transfer conduitis controlled so as to maintain viscous flow of gas and ions within the ion transfer channel.

Ion transfer arrangement with spatially alternating DC and viscous ion flow

An ion transfer arrangement for transporting ions between higher and lower pressure regions of a mass spectrometer includes an electrode assembly () with a first plurality of ring electrodes () arranged in alternating relation with a second plurality of ring electrodes (). The first plurality of ring electrodes () are narrower than the second plurality of ring electrodes () in a longitudinal direction, but the first plurality of ring electrodes have a relatively high magnitude voltage of a first polarity applied to them whereas the second plurality of ring electrodes () have a relatively lower magnitude voltage applied to them, of opposing polarity to that applied to the first set of ring electrodes (). In this manner, ions passing through the ion transfer arrangement experience spatially alternating asymmetric electric fields that tend to focus ions away from the inner surface of the channel wall and towards the channel plane or axis of symmetry.

Ion transfer tube with spatially alternating DC fields

A data compression technique is disclosed for Fourier Transform Mass Spectrometry (FTMS). A statistical analysis is applied to the data in the frequency domain since most of this data is a result of randomly distributed electronic noise. A fit of the whole frequency dataset to the distribution is made to determine preliminary moments of the distribution. The data in the tail of that distribution (which is mainly the peak data) is then removed and the remaining data points are re-fitted to the distribution, to identify the moments of distribution of that remaining noise data. A noise threshold for the mass spectrum is then applied using the calculated moments. The data above the threshold is kept. The whole spectrum can be reconstituted by storing the moments of distribution along with the peak data and then regenerating the noise from those moments and adding it to the peak data.

Method of processing and storing mass spectrometry data

The present invention relates to mass spectrometry and, more particularly, to the scheduling of the steps involved in performing mass spectrometry. The present invention will be of particular benefit to types of mass spectrometry that generate large quantities of data and hence give rise to lengthy data-processing. The present invention provides a method of mass spectrometry comprising a plurality of cycles, each cycle comprising the steps of (a) preparing ions to be analysed by a mass spectrometer; (b) using a detector of the mass spectrometer to collect data from the ions prepared in step (a); and (c) processing the data collected in step (b) with processing means; wherein at least a part of step (a) and/or a part of step (b) of a cycle is performed concurrently with part (c) of a previous cycle.

Method and apparatus for mass spectrometry

This invention relates to a measuring cell for an Ion Cyclotron Resonance (ICR) spectrometer. The present invention provides a measurement cell for an FTMS spectrometer, comprising an excitation electrode arrangement positioned about a longitudinal axis which extends in a direction generally parallel to the field direction of an applied homogeneous magnetic field; and a trapping electrode arrangement, also positioned about the said longitudinal axis, for trapping ions longitudinally in the cell within a trapping region defined by the trapping electrode arrangement; wherein at least a part of the excitation electrode arrangement extends axially outwardly of the trapping region defined by the trapping electrode arrangement.

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Lilienthal, Germany

Robert Malek