Mass Spectrometer MRM Voltage Optimization
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Solution Overview
Problem
In mass spectrometry, optimizing the collision energy for multiple reaction monitoring (MRM) measurements is labor-intensive and time-consuming, especially when dealing with multiple target compounds, leading to overlapping execution times that prolong data acquisition and reduce the accuracy of mass chromatograms.
Innovation Solution
A mass spectrometer with a storage section for MRM conditions, an applied-voltage candidate value determiner, a preliminary measurement number determiner, a unit measurement divider, and a preliminary measurement execution file creator, which optimizes the voltage applied to mass spectrometer sections for each MRM transition, minimizing overlapping execution times and improving data accuracy.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If multiple MRM transitions are measured sequentially to optimize collision energy for each target compound, then measurement precision is improved, but measurement time increases and loop time is prolonged
Solution Approach 1:
The patent segments the measurement process into multiple preliminary measurements, where different groups of MRM transitions are measured in parallel across multiple loops. This allows optimization of collision energy for multiple transitions without sequentially measuring each one, thereby reducing total loop time while maintaining measurement precision through repeated measurements.
Solution Approach 2:
The patent implements periodic action by repeating preliminary measurements multiple times with different groups of MRM transitions. Each loop measures a subset of transitions, and this periodic repetition allows all transitions to be optimized within a reduced overall time frame compared to sequential measurement.
2Measurement precision
If collision energy is optimized for each MRM transition, then measurement precision is improved, but operator workload increases
Solution Approach 1:
The patent enables self-service by implementing automated collision energy optimization through preliminary measurements. The system automatically determines optimal collision energies for multiple MRM transitions without requiring manual operator intervention for each transition, thereby reducing operator workload while maintaining high measurement precision.
Solution Approach 2:
The patent uses feedback mechanisms where preliminary measurement results are automatically analyzed to determine optimal collision energies. The system feeds back the optimized parameters to the measurement method, eliminating the need for operators to manually adjust and optimize each transition.
3Manufacturing precision
If multiple preliminary measurements are performed to optimize voltage settings, then manufacturing precision is improved, but device complexity increases
Solution Approach 1:
The patent segments the complex optimization task into multiple manageable preliminary measurements, each handling a specific group of MRM transitions. This segmentation approach maintains measurement precision by thoroughly optimizing each group while avoiding the need for a single overly complex measurement system.
Solution Approach 2:
The patent implements dynamic measurement groups where the composition of MRM transitions in each preliminary measurement can vary. This dynamic approach allows flexible optimization strategies that adapt to different measurement requirements, achieving high precision without requiring a fixed complex measurement architecture.
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 configuration allows for efficient creation of preliminary measurement execution files that reduce the loop time, ensuring high accuracy of mass chromatograms by optimizing voltage settings for each MRM transition, thereby improving measurement precision and reducing operator workload.
Implementation Method 1
a plurality of target compounds separated from each other by a chromatograph
Implementation Method 2
a mass spectrometer (such as a tandem quadrupole mass spectrometer) including: a front mass separator section for selecting a precursor ion
Implementation Method 3
a front mass separator section for selecting a precursor ion; a fragmenting section, such as a collision cell, for fragmenting the precursor ion into product ions; and a rear mass separator section for selecting a product ion
Implementation Method 4
a fragmenting section, such as a collision cell, for fragmenting the precursor ion into product ions
Data Source
AI summary
Provided is a mass spectrometer including a storage section in which an MRM measurement condition specifying an MRM transition and an execution time slot is stored for target compounds; an applied-voltage candidate value determiner for determining applied-voltage candidate values for each of the MRM transitions; a preliminary measurement number determiner for determining the number of times a preliminary measurement is performed to optimize an applied-voltage value in the plurality of MRM transitions; a unit measurement divider for dividing a plurality of unit measurements which correspond to all combinations of the MRM transitions and the applied-voltage values into the same number of groups as the number of times of the preliminary measurement, in such a manner as to minimize the number of overlaps of execution times; and a preliminary measurement execution file creator for creating a preliminary measurement execution file for each group.