Method for tuning with unresolved peaks on quadrupole mass spectrometers

Patent metadata

Field	Value
Publication number	US-11984307-B2
Application number	US-202217578371-A
Country	US
Kind code	B2
Filing date	Jan 18, 2022
Priority date	Jan 18, 2022
Publication date	May 14, 2024
Grant date	May 14, 2024

Abstract

A mass spectrometer support apparatus includes a peak shape logic to determine one or more peak shapes using a calibration mass spectrum and known peak locations; and a tuning logic to adjust instrument parameters to achieve a selected peak width. A method for tuning a quadrupole-based mass spectrometer includes determining one or more peak shapes using a calibration mass spectrum and known peak locations; and adjusting instrument parameters to achieve a selected peak width.

First claim

What is claimed is:

1. A mass spectrometer support apparatus, comprising:
peak shape logic to determine one or more peak shapes using a calibration mass spectrum by solving a convex optimization to recover one or more best match peak shapes for the set of isotopes in the calibration mass spectrum based on the known relative masses and intensities of the isotopes of a calibration standard; and
tuning logic to adjust the peak width by adjusting the RF and DC voltage ramp rates of a mass resolving quadrupole so as to achieve a selected peak width.

2. The mass spectrometer support system of claim 1 , wherein the one or more peaks shapes includes a first peak shape for low mass ions and a second peak shape for high mass ions.

3. The mass spectrometer support system of claim 1 , wherein the peak shape logic and the tuning logic are implemented by a common computing device.

4. The mass spectrometer support system of claim 1 , wherein at least one of the peak shape logic and the tuning logic are implemented by a computing device remote from the mass spectrometer.

5. The mass spectrometer support system of claim 1 , wherein at least one of the peak shape logic and the tuning logic are implemented by a user computing device.

6. The mass spectrometer support system of claim 1 , wherein at least one of the peak shape logic and the tuning logic are implemented in the mass spectrometer.

7. The mass spectrometer support system of claim 1 , further comprising a calibration logic to adjust instrument parameters to match the peaks locations of a calibration mass spectrum to known mass-to-charge ratios for a calibration standard.

8. A method for tuning a quadrupole-based mass spectrometer, comprising:
determining one or more peak shapes using a calibration mass spectrum by solving a convex optimization to recover one or more best match peak shapes for the set of isotopes in the calibration mass spectrum based on the known relative masses and intensities of the isotopes of the calibration standard; and
adjusting the peak width by adjusting the RF and DC voltage ramp rates of a mass resolving quadrupole so as to achieve a selected peak width.

9. The method of claim 8 , wherein the one or more peaks shapes includes a first peak shape for low mass ions and a second peak shape for high mass ions.

10. The method of claim 8 , further comprising adjusting instrument parameters to match the peaks locations of a calibration mass spectrum to known mass-to-charge ratios for a calibration standard.

11. One or more non-transitory computer readable media having instructions thereon that, when executed by one or more processing devices of a scientific instrument support apparatus, cause the scientific instrument support apparatus to perform the method of claim 8 .

Assignees

• Thermo Finnigan Llc

Inventors

• Smith Johnathan W

Classifications

• H01J49/0036 Primary

  Step by step routines describing the handling of the data generated during a measurement · CPC title

• H01J49/0009 Primary

  Calibration of the apparatus · CPC title

• H01J49/42

  Stability-of-path spectrometers, e.g. monopole, quadrupole, multipole, farvitrons · CPC title

• H01J49/022 Primary

  Circuit arrangements, e.g. for generating deviation currents or voltages (regulating electric or magnetic variables in general, e.g. current, magnetic field G05F); Components associated with high voltage supply (high voltage supply per se H02M) · CPC title

• H01J49/0031

  Step by step routines describing the use of the apparatus (H01J49/0081 takes precedence) · CPC title