Systems and Methods for Using Variable Mass Selection Window Widths in Tandem Mass Spectrometry

Patent metadata

Field	Value
Publication number	US-2018096830-A1
Application number	US-201715805313-A
Country	US
Kind code	A1
Filing date	Nov 7, 2017
Priority date	Sep 8, 2010
Publication date	Apr 5, 2018
Grant date	—

Abstract

Systems and methods are used to analyze a sample using variable mass selection window widths. A tandem mass spectrometer is instructed to perform at least two fragmentation scans of a sample with different mass selection window widths using a processor. The tandem mass spectrometer includes a mass analyzer that allows variable mass selection window widths. The selection of the different mass selection window widths can be based on one or more properties of sample compounds. The properties may include a sample compound molecular weight distribution that is calculated from a molecular weight distribution of expected compounds or is determined from a list of molecular weights for one or more known compounds. The tandem mass spectrometer can also be instructed to perform an analysis of the sample before instructing the tandem mass spectrometer to perform the at least two fragmentation scans of the sample.

First claim

What is claimed is:

1 . A system for analyzing a sample using variable precursor mass selection window widths, comprising:
a tandem mass spectrometer that includes a mass analyzer that allows variable precursor mass selection window widths across a mass range of a sample; and a processor in communication with the tandem mass spectrometer that instructs the tandem mass spectrometer to perform at least two fragmentation scans of at least two variable precursor mass selection window widths with different precursor mass selection window widths across the mass range of the sample in a single scan of the mass range, wherein the different precursor mass selection window widths are calculated by
generating a molecular weight distribution for known compounds in the sample,
calculating a histogram for the distribution with a histogram frequency that is the number of compounds per interval of mass, and
calculating the different precursor mass selection window widths as the inverse of the histogram frequency.

2 . The system of claim 1 , wherein the processor further instructs the tandem mass spectrometer to adjust one or more different acquisition parameters for each different precursor mass selection window.

3 . The system of claim 2 , wherein the acquisition parameters comprise one or more of an accumulation time, a collision energy, or a collision energy spread.

4 . The system of claim 1 , wherein the known compounds comprise a genome.

5 . The system of claim 1 , wherein the known compounds comprise a proteome.

6 . The system of claim 1 , wherein the known compounds comprise a compound class.

7 . The system of claim 1 , wherein the compound class comprises lipids.

8 . The system of claim 5 , wherein the generated molecular weight distribution for known compounds is adjusted to allow for modified forms of known proteins.

9 . A method for analyzing a sample using variable precursor mass selection window widths, comprising:
instructing a tandem mass spectrometer to perform at least two fragmentation scans of at least two variable precursor mass selection window widths with different precursor mass selection window widths across a mass range of a sample in a single scan of the mass range using a processor, wherein the tandem mass spectrometer includes a mass analyzer that allows variable precursor mass selection window widths, wherein the different precursor mass selection window widths are calculated by
generating a molecular weight distribution for known compounds in the sample,
calculating a histogram for the distribution with a histogram frequency that is the number of compounds per interval of mass, and
calculating the different precursor mass selection window widths as the inverse of the histogram frequency.

10 . The method of claim 9 , further comprising instructing the tandem mass spectrometer to adjust one or more different acquisition parameters for each different precursor mass selection window.

11 . The method of claim 10 , wherein the acquisition parameters comprise one or more of an accumulation time, a collision energy, or a collision energy spread.

12 . The method of claim 9 , wherein the known compounds comprise a genome.

13 . The method of claim 9 , wherein the known compounds comprise a proteome.

14 . The method of claim 9 , wherein the known compounds comprise a compound class.

15 . The method of claim 9 , wherein the compound class comprises lipids.

16 . The method of claim 13 , wherein the generated molecular weight distribution for known compounds is adjusted to allow for modified forms of known proteins.

17 . A computer program product, comprising a tangible computer-readable storage medium whose contents include a program with instructions being executed on a processor so as to perform a method for analyzing a sample using variable precursor mass selection window widths, the method comprising:
providing a system, wherein the system comprises one or more distinct software modules, and wherein the distinct software modules comprise a mass selection window width module; and instructing a tandem mass spectrometer to perform at least two fragmentation scans of at least two variable precursor mass selection window widths with different precursor mass selection window widths across a mass range of a sample in a single scan of the mass range using the mass selection window width module, wherein the tandem mass spectrometer includes a mass analyzer that allows variable precursor mass selection window widths, wherein the different precursor mass selection window widths are calculated by
generating a molecular weight distribution for known compounds in the sample,
calculating a histogram for the distribution with a histogram frequency that is the number of compounds per interval of mass, and
calculating the different precursor mass selection window widths as the inverse of the histogram frequency.

18 . The computer program product of claim 17 , wherein the method further comprises instructing the tandem mass spectrometer to adjust one or more different acquisition parameters for each different precursor mass selection window.

19 . The computer program product of claim 18 , wherein the acquisition parameters comprise one or more of an accumulation time, a collision energy, or a collision energy spread.

20 . The computer program product of claim 17 , wherein the known compounds comprise a genome.

Assignees

• Dh Technologies Dev Pte Ltd

Inventors

• Bonner Ronald F
• Tate Stephen A

Classifications

• H01J49/0031 Primary

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

• H01J49/0027 Primary

  Methods for using particle spectrometers · CPC title

• H01J49/0081 Primary

  Tandem in time, i.e. using a single spectrometer · CPC title

• H01J49/0045

  characterised by the fragmentation or other specific reaction · CPC title

• H01J49/004

  Combinations of spectrometers, tandem spectrometers, e.g. MS/MS, MSn · CPC title