Self-calibration of high resolution mass spectrum

A high-resolution, self-calibration technology, applied in the field of self-calibration of high-resolution mass spectrometry, which can solve problems such as inapplicability to high-resolution mass spectrometry analysis

Pending Publication Date: 2021-10-08
MICROMASS UK LTD
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Problems solved by technology

[0017] However, it should be understood that this approach is not suitable for high-resolution mass spectrometry, where multiple ion peaks associated with different species will be observed with the same nominal mass-to-charge ratio

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  • Self-calibration of high resolution mass spectrum
  • Self-calibration of high resolution mass spectrum
  • Self-calibration of high resolution mass spectrum

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Embodiment Construction

[0115] A conventional way of mass calibration or self-calibration will first be briefly described with reference to FIG. 1 .

[0116] Figure 1 illustrates a conventional approach to mass calibration known as "full mass" calibration, in which ion peaks are calibrated to the nearest full or nominal mass unit. Due to the nonlinear dependence of the mass-to-charge ratio as a function of time-of-flight, a proper fit can only be achieved if the full mass-charge values ​​are correctly assigned to the ion peaks. The inaccuracy of this method stems from mass imperfections, whereby the mass of the observed ion is not exactly proportional to the full mass unit (or 1 / 12 of the mass of carbon).

[0117] For comparison, figure 2 An example of a high resolution mass spectrum fragment for the full mass peak with mass-to-charge ratio m / z=123 is shown. On the bottom graph, full height vertical lines indicate an example of a new grid of precise positions of possible peaks that replaces the in...

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Abstract

A method of self-calibrating a mass spectrometer or mass spectral data is disclosed. At least some first observed mass to charge ratios are matched with or against a comprehensive reference set of possible or predicted elemental compositions having known precise mass to charge ratios. One or more calibration parameters of a calibration routine are then adjusted so as to optimize the match between one or more of the first observed mass to charge ratios and the corresponding known precise mass to charge ratios of one or more possible or predicted elemental compositions contained within the reference set.

Description

[0001] Cross References to Related Applications [0002] This application claims priority to and benefit from UK Patent Application No. 1902780.4, filed 1 March 2019. The entire content of this application is incorporated herein by reference. technical field [0003] The present invention generally relates to mass spectrometers and methods of mass spectrometry. Various embodiments are disclosed that relate to methods of self-calibrating high resolution mass spectrometry data and a mass spectrometer having a control system arranged and adapted to self-calibrate mass spectrometry data. In particular, various embodiments are disclosed in which a mass spectrometer can self-calibrate without the use of intrinsic or extrinsic (lock mass) calibrators. Background technique [0004] It is known to calibrate the mass-to-charge ratio scale of a mass spectrometer by fitting data from known ion peaks (reference standards) to the fundamental scanning laws employed by the mass spectrome...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): H01J49/00
CPCH01J49/0009H01J49/0036H01J49/406
Inventor 鲍里斯·科斯洛夫瓦西里·马卡罗夫基思·理查森
Owner MICROMASS UK LTD
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