DDA Mass Spectrometry Reducing Dead Time via Charge State Determination
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Solution Overview
Problem
Mass spectrometers performing Data Directed Acquisition (DDA) face challenges in increasing the number of MS/MS switches while maintaining a high duty cycle, as the time spent processing initial survey spectra increases 'dead time' and requires complex processing, including chemical intelligence.
Innovation Solution
A method that performs a survey scan analyzing ion mobilities and mass-to-charge ratios to determine charge states of parent or precursor ions, allowing for optimized fragmentation or reaction conditions in the MS/MS mode, reducing 'dead time' and enhancing spectral data sensitivity by selecting appropriate fragmentation techniques based on charge states.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If complex processing including chemical intelligence is used to identify ions of interest, then the accuracy of ion identification is improved, but the dead time of the instrument increases
Solution Approach 1:
The patent performs preliminary actions during the survey scan by determining charge states and predicting fragmentation patterns before MS/MS acquisition. This pre-processing of ion information allows the system to make rapid decisions about which ions to select for fragmentation without requiring complex real-time processing, thereby reducing dead time while maintaining identification accuracy
Solution Approach 2:
The patent segments the data processing into distinct components: survey scan data acquisition, charge state determination, fragmentation pattern prediction, and ion selection. By dividing the complex processing task into separate manageable segments that can be performed sequentially or in parallel, the system reduces the computational burden during critical acquisition phases, minimizing dead time while preserving measurement precision
2Productivity
If the number of MS/MS switches is increased to improve duty cycle, then the productivity is improved, but the processing requirements and complexity increase
Solution Approach 1:
The patent implements self-service by using the survey scan data itself to generate the information needed for ion selection and fragmentation condition optimization. The system determines charge states and predicts fragmentation patterns directly from the acquired survey data without requiring external databases or complex chemical intelligence, allowing rapid automated decision-making that supports increased MS/MS switching rates
Solution Approach 2:
The patent changes key parameters including determining charge states from survey scan data and using these charge states to select optimal fragmentation conditions. By dynamically adjusting fragmentation parameters based on real-time charge state determination rather than relying on pre-set conditions, the system can rapidly adapt to different ions and maintain high productivity without increasing processing complexity
3Measurement precision
If conventional processing is used to identify ions of interest, then the identification capability is maintained, but the dead time increases and sensitivity is reduced
Solution Approach 1:
The patent replaces conventional mechanical data processing approaches with a predictive modeling approach. Instead of using complex chemical intelligence rules and databases to identify ions, the system uses machine learning models trained on survey scan data to predict fragmentation patterns and identify ions of interest. This substitution reduces computational complexity and processing time while maintaining or improving identification capability
Solution Approach 2:
The patent performs preliminary determination of charge states and prediction of fragmentation patterns during the survey scan phase. This preliminary processing prepares the data in advance for rapid ion selection and MS/MS acquisition, eliminating the need for complex real-time processing and reducing dead time while preserving identification capability
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
This approach reduces the processing requirements for identifying ions of interest, minimizes 'dead time', and improves the sensitivity and ability to identify parent or precursor ions by optimizing fragmentation conditions, thereby enhancing the performance and duty cycle of mass spectrometers.
Implementation Method 1
analyzing the ion mobilities of the ions
Implementation Method 2
mass analyzing the ions
Implementation Method 3
fragmenting or reacting said selected ion
Data Source
AI summary
A method of mass spectrometry is disclosed comprising: performing a survey scan of a plurality of different types of parent or precursor ions, wherein the survey scan comprises analyzing the ion mobilities of the ions and mass analyzing the ions; determining the charge states of parent or precursor ions analyzed in the survey scan based on their determined combinations of ion mobility and mass to charge ratio; selecting a parent or precursor ion for fragmentation or reaction; and fragmenting or reacting the selected ion, wherein the fragmentation or reaction conditions are selected from a plurality of different fragmentation or reaction conditions based upon the determined charge state of the selected ion.