Methods for identifying an apex for improved data-dependent acquisition
First Claim
1. A method of enabling data-dependent acquisition in a mass spectrometer, comprising:
- obtaining a plurality of mass spectra from a sample;
selecting from said plurality of mass spectra, a set of eluting m/z peaks of interest from a weighted mass spectrum by way of a correlation technique;
obtaining phase data resulting from portions of extracted ion chromatographs (XIC) from said selected set of eluting m/z peaks of interests so that a subset of said set of eluting m/z peaks of interest can be identified; and
triggering off of said identified subset of said eluting m/z peaks of interest based on said obtained phase data so that real-time data is acquired that corresponds to one or more eluting m/z peaks of interest.
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Abstract
A method of analyzing data from a mass spectrometer provides data-dependent acquisition. An extracted ion chromatogram (XIC) is created for each m/z data point of mass spectral scans and the XIC for each m/z data point are correlated to a model function to obtain a XIC correlation value. A weighting function is applied to the XIC correlation value to obtain a current weighted intensity for each m/z point, which is used to reconstruct a weighted mass spectrum. The value or range of intensities of interest of the weighted intensity data or raw data is transformed from the time domain into the frequency domain, and the transformed data is used to make a real-time decision for the data-dependent acquisition. The data-dependent acquisition can be the performance of tandem mass spectrometry. A sample processing apparatus receives the sample and a computer readable medium provides instructions to the apparatus.
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Citations
25 Claims
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1. A method of enabling data-dependent acquisition in a mass spectrometer, comprising:
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obtaining a plurality of mass spectra from a sample; selecting from said plurality of mass spectra, a set of eluting m/z peaks of interest from a weighted mass spectrum by way of a correlation technique; obtaining phase data resulting from portions of extracted ion chromatographs (XIC) from said selected set of eluting m/z peaks of interests so that a subset of said set of eluting m/z peaks of interest can be identified; and triggering off of said identified subset of said eluting m/z peaks of interest based on said obtained phase data so that real-time data is acquired that corresponds to one or more eluting m/z peaks of interest. - View Dependent Claims (2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12)
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13. A computer readable medium that provides instructions, which when executed on a processor, causes the processor to perform a method of controlling a mass spectrometer, comprising:
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obtaining a plurality of mass spectra from a sample; selecting from said plurality of mass spectra, a set of eluting m/z peaks of interest from a weighted mass spectrum by way of a correlation technique; obtaining phase data resulting from portions of extracted ion chromatographs (XIC) from said selected set of eluting m/z peaks of interests so that a subset of said set of eluting m/z peaks of interest can be identified; and triggering off of said identified subset of said eluting m/z peaks of interest based on said obtained phase data so that real-time data is acquired that corresponds to one or more desired eluting m/z peaks of interest. - View Dependent Claims (14, 15, 16, 17, 18)
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19. A sample processing apparatus for data-dependent acquisition, comprising:
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a mass spectrometer; a system controller for controlling said mass spectrometer; and a machine-readable medium coupled to said system controller, said machine-readable medium having a memory that stores a set of instructions that controls data-dependent acquisition by said mass spectrometer;
wherein said set of instructions comprises;obtaining a plurality of mass spectra from a sample; selecting from said plurality of mass spectra, a set of eluting m/z peaks of interest from a weighted mass spectrum by way of a correlation technique; obtaining phase data resulting from portions of extracted ion chromatographs (XIC) from said selected set of eluting m/z peaks of interests so that a subset of said set of eluting m/z peaks of interest can be identified; and triggering off of said identified subset of said eluting m/z peaks of interest based on said obtained phase data so that real-time data is acquired that corresponds to one or more desired eluting m/z peaks of interest. - View Dependent Claims (20, 21, 22, 23, 24, 25)
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Specification