Systems and methods for improved robustness for quadrupole mass spectrometry

Patent metadata

Field	Value
Publication number	US-9496126-B2
Application number	US-201514690307-A
Country	US
Kind code	B2
Filing date	Apr 17, 2015
Priority date	Apr 17, 2015
Publication date	Nov 15, 2016
Grant date	Nov 15, 2016

Abstract

A method for analyzing a sample by mass spectrometry includes producing ions from the sample, delivering the ions to an entrance of a multipole, and applying oscillatory and resolving DC voltages to electrodes of the multipole. The oscillatory and resolving DC voltages cause the multipole to selectively transmit to its distal end ions within a range of mass-to-charge ratios (m/z's) determined by the amplitudes of the oscillatory and resolving DC voltages. The method further includes acquiring data representative of the spatial distributions of ions transmitted by the multipole at a plurality of consecutive time points, and deconvolving the acquired data to produce a mass spectrum. Deconvolving the acquired data includes processing the data to compress a dynamic range of intensity values in the data.

First claim

What is claimed is:

1. A method for analyzing a sample by mass spectrometry, comprising:
producing ions from the sample and delivering the ions to an entrance of a multipole;
applying oscillatory and resolving DC voltages to electrodes of the multipole to cause the multipole to selectively transmit to its distal end ions within a range of mass-to-charge ratios (m/z's) determined by the amplitudes of the oscillatory and resolving DC voltages;
acquiring, at a detector located adjacent to the distal end of the multipole, data representative of the spatial distributions, across a plane oriented orthogonally to a longitudinal axis of the multipole, of ions transmitted by the multipole at a plurality of consecutive time points; and
deconvolving the acquired data to produce a mass spectrum, wherein the deconvolving includes processing the data to compress a dynamic range of intensity values in the data.

2. The method of claim 1 , further comprising deconvolving the acquired data without compressing a dynamic range of intensity values to determine a relative abundance of ions.

3. The method of claim 1 , wherein the processing step includes rescaling the intensity values in accordance with a power function.

4. The method of claim 3 , wherein the data are organized into a plurality of voxel planes, and the processing step includes adjusting a parameter of the power function based on a total intensity of each voxel plane.

5. The method of claim 3 , wherein the data are organized into a voxel set including a plurality of voxel planes, and the processing step includes adjusting a parameter of the power function based on a total intensity of the voxel set.

6. The method of claim 1 , wherein the step of deconvolving the data includes computing cross-products of the processed data with a set of reference signals, the reference signals each being representative of a measured or expected spatial distribution of a single ion species at a particular operating state of the multipole.

7. The method of claim 1 , wherein the step of applying oscillatory and resolving DC voltages includes progressively varying at least one of the amplitudes of the oscillatory and resolving DC voltages during a scan period, and wherein the step of acquiring data includes acquiring data a plurality of consecutive time points extending along the scan period.

8. The method of claim 1 , wherein the abundance of ions is affected by chromatographic skew.

9. The method of claim 1 , wherein the abundance of ions is affected by source instability.

10. A method for analyzing a sample by mass spectrometry, comprising:
providing an analyte to a mass spectrometer, the mass spectrometer including:
a multipole configured to selectively transmit to its distal end ions within a range of mass-to-charge ratios (m/z's) determined by the amplitudes of oscillatory and resolving DC voltages applied to electrodes of the multipole; and
a detector located adjacent to the distal end of the multipole

acquiring, at the detector, data representative of spatial distributions, across a plane oriented orthogonally to a longitudinal axis of the multipole, of ions transmitted by the multipole at a plurality of consecutive time points; and
deconvolving the acquired data to produce a mass spectrum, wherein the deconvolving includes processing the data to compress a dynamic range of intensity values in the data.

11. The method of claim 10 , further comprising deconvolving the acquired data a second time without compressing the dynamic range of the intensity values to determine relative abundance of ions.

12. The method of claim 11 , wherein deconvolving the second time utilizes the positional information obtained by the first deconvolving step.

13. The method of claim 10 , wherein the processing step includes rescaling the intensity values in accordance with a power function.

14. The method of claim 13 , wherein the data are organized into a plurality of voxel planes, and the processing step includes adjusting a parameter of the power function based on a total intensity of each voxel plane.

15. The method of claim 13 , wherein the data are organized into a voxel set including a plurality of voxel planes, and the processing step includes adjusting a parameter of the power function based on a total intensity of the voxel set.

16. The method of claim 10 , wherein the step of deconvolving the data includes computing cross-products of the processed data with a set of reference signals, the reference signals each being representative of a measured or expected spatial distribution of a single ion species at a particular operating state of the multipole.

17. The method of claim 10 , wherein the abundance of ions is affected by chromatographic skew.

18. The method of claim 10 , wherein the abundance of ions is affected by source instability.

19. A mass spectrometer, comprising:
a multipole comprising a set of electrodes extending between entrance and distal ends;
a voltage controller for applying oscillatory and resolving DC voltages to the set of electrodes, the applied oscillatory and resolving voltages establishing an electric field within the multipole that causes ions within a range of m/z's to be selectively transmitted from the entrance end to the distal end of the multipole, the range of m/z's of the transmitted ions being determined by the amplitudes of the applied oscillatory and resolving DC voltages;
a position-sensitive detector located adjacent to the distal end of the multipole for acquiring data representative of the spatial distributions, across a plane oriented orthogonally to a longitudinal axis of the multipole, of ions transmitted by the multipole at a plurality of consecutive time points; and
a processor programmed with instructions to deconvolve the acquired data to produce a mass spectrum, wherein the instructions include processing the data to compress a dynamic range of intensity values in the data.

20. The mass spectrometer of claim 19 , wherein the instructions to process the data include instructions to rescale the intensity values in accordance with a power function.

21. The mass spectrometer of claim 20 , wherein the data are organized into a plurality of voxel planes, and the instructions to process the data include instructions to adjust a parameter of the power function based on a total intensity of each voxel plane.

22. The mass spectrometer of claim 20 , wherein the data are organized into a voxel set including a plurality of voxel planes, and the instructions to process the data include instructions to adjust a parameter of the power function based on a total intensity of the voxel set.

23. The mass spectrometer of claim 19 , wherein the instructions to deconvolve the data include instructions to compute cross-products of the processed data with a set of reference signals, the reference signals each being representative of a measured or expected spatial distribution of a single ion species at a particular operating state of the multipole.

24. The mass spectrometer of claim 19 , wherein the voltage controller is configured to progressively vary at least one of the amplitudes of the oscillatory and resolving DC voltages during a scan period, and wherein the acquired data includes data from a plurality of consecutive time points extending along the scan period.

25. The mass spectrometer of claim 19 , wherein the abundance of ions is affected by chromatographic skew.

Assignees

• Thermo Finnigan Llc

Inventors

• Smith Johnathan Wayne

Classifications

• H01J49/4215 Primary

  Quadrupole mass filters (H01J49/4225 takes precedence) · CPC title

• H01J49/0036

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

• H01J49/025

  Detectors specially adapted to particle spectrometers (data acquisition H01J49/0036; detectors per se G01T, e.g. G01T1/28, G01T1/29) · CPC title