Mass Spectrometry Data Processing Apparatus, Mass Spectrometry System, and Method for Processing Mass Spectrometry Data
AssigneeJEOL Ltd.
InventorsShinichi Mukousaka, Yoshiyuki Ito
Life of this patent
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Abstract
A mass spectrometry data processing apparatus includes a computation unit and a seeking unit. The computation unit calculates the mass difference Δm/z between the peaks of two molecules selected from mass spectrum data or obtains the mass difference Δm/z. The seeking unit estimates a combination of atoms between the peaks of the two molecules in a range of the mass difference Δm/z. The seeking unit seeks the combination of atoms having a mass difference, which matches the mass difference Δm/z, between a set of atoms desorbed from a first molecule of the two molecules and a set of atoms added to the first molecule.
Claims6
A mass spectrometry data processing apparatus comprising:
- a computation unit that calculates a mass difference between peaks of two molecules selected from mass spectrum data or obtains the mass difference;
- and
- a seeking unit that estimates a combination of atoms between the peaks of the two molecules, the estimation being performed in a range of the mass difference,
- wherein the seeking unit seeks the combination of atoms, the combination having a mass difference matching the mass difference between the peaks of the two molecules, the mass difference of the combination being a mass difference between a set of atoms desorbed from a first molecule of the two molecules and a set of atoms added to the first molecule.
A mass spectrometry system comprising:
- a mass spectrometer that performs mass spectrometry on a sample and generates mass spectrum data;
- and
- a mass spectrometry data processing apparatus that obtains the mass spectrum data from the mass spectrometer,
- wherein the mass spectrometry data processing apparatus comprises:
- a computation unit that calculates a mass difference between peaks of two molecules selected from the mass spectrum data or obtains the mass difference, and
- a seeking unit that estimates a combination of atoms between the peaks of the two molecules, the estimation being performed in a range of the mass difference,
- wherein the seeking unit seeks the combination of atoms, the combination having a mass difference matching the mass difference between the peaks of the two molecules, the mass difference of the combination being a mass difference between a set of atoms desorbed from a first sample of the two molecules and a set of atoms added to the first sample.
A method for processing mass spectrometry data, the method comprising:
- calculating a mass difference between peaks of two molecules selected from mass spectrum data or obtaining the mass difference;
- and
- estimating a combination of atoms between the peaks of the two molecules, the estimation being performed in a range of the mass difference,
- wherein, in the estimation, the combination of atoms is sought, the combination having a mass difference matching the mass difference between the peaks of the two molecules, the mass difference of the combination being a mass difference between a set of atoms desorbed from a first molecule of the two molecules and a set of atoms added to the first molecule.
Dependencies are inferred from the claim text.