Deconvolution of mixed spectra

Patent metadata

Field	Value
Publication number	US-10163613-B2
Application number	US-201615750550-A
Country	US
Kind code	B2
Filing date	Aug 9, 2016
Priority date	Aug 13, 2015
Publication date	Dec 25, 2018
Grant date	Dec 25, 2018

Abstract

An m/z range of an ion beam is divided into two or more precursor ion mass selection windows. A pattern of two or more different window m/z ranges to be used during two or more successive cycles for at least one precursor ion mass selection window is determined. The pattern includes an initial window m/z range and one or more successively different window m/z ranges. Each of the one or more successively different window m/z ranges includes at least a portion of the initial window m/z range. A tandem mass spectrometer is instructed to select and fragment the two or more precursor ion mass selection windows during each cycle of a plurality of cycles and to repeatedly use the pattern for each group of two or more successive cycles of the plurality of cycles for the selection and fragmentation of the at least one precursor ion mass selection window.

First claim

What is claimed is:

1. A system for providing precursor ion information in a tandem mass spectrometry data independent acquisition (DIA) experiment by changing the mass-to-charge ratio (m/z) range of precursor ion mass section windows among cycles, comprising:
a sample introduction device that introduces one or more compounds of a sample over time;
an ion source configured to receive the one or more compounds from the sample introduction device and ionize the one or more compounds, producing an ion beam of precursor ions;
a tandem mass spectrometer configured to receive the ion beam of precursor ions and select and fragment an m/z range of the ion beam during each cycle of a plurality of cycles; and
a processor in communication with the tandem mass spectrometer that
(a) divides the ion beam m/z range into two or more precursor ion mass selection windows, wherein each precursor ion mass selection window of the two or more precursor ion mass selection windows has an initial window m/z range corresponding to part of the ion beam m/z range,
(b) for at least one precursor ion mass selection window of the two or more precursor ion mass selection windows, instructs the tandem mass spectrometer to perform a precursor ion survey scan mass analysis of the least one precursor ion mass selection window, producing a precursor ion mass spectrum that determines m/z values of precursor ions in the at least one precursor ion mass selection window,
(c) determines a pattern of two or more different window m/z ranges to be used during two or more successive cycles for at the least one precursor ion mass selection window that includes an initial window m/z range and one or more successively different window m/z ranges, wherein each of the one or more successively different window m/z ranges are chosen so that at least one precursor ion found in the precursor ion mass spectrum of the at least one precursor ion mass selection window remains in the at least one precursor ion mass selection window for all the one or more successively different window m/z ranges and the other precursor ions found in the precursor ion spectrum of the at least one precursor ion mass selection window end up in at least one other precursor ion mass selection window for at least one of the one or more successively different window m/z ranges, and
(d) instructs the tandem mass spectrometer to select and fragment the two or more precursor ion mass selection windows during each cycle of the plurality of cycles and to repeatedly use the pattern of two or more different window m/z ranges for each group of two or more successive cycles of the plurality of cycles for the selection and fragmentation of the at least one precursor ion mass selection window, producing a product ion spectrum for each precursor ion mass selection window of the two or more precursor ion mass selection windows for each cycle and producing product ion spectra for the at least one precursor ion mass selection window that include an effect of the repeated use of the pattern.

2. The system of claim 1 , wherein one or more successively different window m/z ranges chosen comprise shifts of the initial window m/z range within the ion beam m/z range so that the at least one precursor ion found in the precursor ion mass spectrum of the at least one precursor ion mass selection window remains in the at least one precursor ion mass selection window for all the one or more successively different window m/z ranges and the other precursor ions found in the precursor ion spectrum of the at least one precursor ion mass selection window end up in at least one other precursor ion mass selection window for at least one of the one or more successively different window m/z ranges.

3. The system of claim 1 , wherein the one or more successively different window m/z ranges chosen comprise successive changes in the m/z width of the at least one precursor ion mass selection window so that the at least one precursor ion found in the precursor ion mass spectrum of the at least one precursor ion mass selection window remains in the at least one precursor ion mass selection window for all the one or more successively different window m/z ranges and the other precursor ions found in the precursor ion spectrum of the at least one precursor ion mass selection window end up in at least one other precursor ion mass selection window for at least one of the one or more successively different window m/z ranges.

4. The system of claim 3 , wherein the successive changes in the m/z width of the at least one precursor ion mass selection window comprise decreases the m/z width of the at least one precursor ion mass selection window so that the at least one precursor ion found in the precursor ion mass spectrum of the at least one precursor ion mass selection window remains in the at least one precursor ion mass selection window for all the one or more successively different window m/z ranges and the other precursor ions found in the precursor ion spectrum of the at least one precursor ion mass selection window end up in at least one other precursor ion mass selection window for at least one of the one or more successively different window m/z ranges.

5. The system of claim 1 , wherein the processor further changes window m/z ranges for one or more other precursor ion mass selection windows of the two or more precursor ion mass selection windows during the two or more successive cycles in order analyze the entire ion beam m/z range during every cycle of the plurality of cycles by
during step (b), for each precursor ion mass selection window of the one or more other precursor ion mass selection windows, instructing the tandem mass spectrometer to perform a precursor ion survey scan mass analysis of the each precursor ion mass selection window, producing a precursor ion mass spectrum that determines m/z values of precursor ions in the each precursor ion mass selection window and a plurality of precursor ion mass spectra for the one or more other precursor ion mass selection windows,
during step (c), for each precursor ion mass selection window of the one or more other precursor ion mass selection windows, determining a pattern of two or more different window m/z ranges to be used during two or more successive cycles for the each precursor ion mass selection window that includes an initial window m/z range and one or more successively different window m/z ranges, wherein each of the one or more successively different window m/z ranges are chosen so that at least one precursor ion found in the precursor ion mass spectrum of the each precursor ion mass selection window remains in the each precursor ion mass selection window for all the one or more successively different window m/z ranges and the other precursor ions found in the precursor ion spectrum of the each precursor ion mass selection window end up in at least one other precursor ion mass selection window for at least one of the one or more successively different window m/z ranges, producing one or more additional patterns, and
during step (d), instructing the tandem mass spectrometer to repeatedly use the one or more additional patterns of two or more different window m/z ranges during each cycle of the two or more successive cycles for the selection and fragmentation of the one or more other precursor ion mass selection windows, producing product ion spectra for each precursor ion mass selection window of the one or more other precursor ion mass selection windows that include an effect of the repeated use of the one or more additional patterns.

6. The system of claim 5 , wherein one or more successively different window m/z ranges chosen comprise shifts of the initial window m/z range within the ion beam m/z range so that the at least one precursor ion found in the precurso

Assignees

• Dh Technologies Dev Pte Ltd

Inventors

• Cox David Michael
• Ivosev Gordana

Classifications

• H01J49/0045

  characterised by the fragmentation or other specific reaction · CPC title

• H01J49/04

  Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locks; Arrangements for external adjustment of electron- or ion-optical components · CPC title

• H01J49/26

  Mass spectrometers or separator tubes · CPC title

• 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