Mass Spectrometer Controller Non-Linear Chromatographic Trace
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Solution Overview
Problem
In mass spectrometry, analyzing complex samples with multiple analytes of interest is challenging due to interference from matrix components and small changes in retention time, making it difficult to determine the presence and quantity of specific analytes, especially when using LC/MS quantitation techniques like MRM.
Innovation Solution
A system and method that includes an ion source, mass spectrometer, and controller configured to select designated precursor ions and fragments, generating combined chromatographic traces through non-linear combinations of fragment traces, aiding in identifying and quantifying analytes by controlling mass analyzers and detectors during specified retention time windows.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If MRM techniques are used for LC/MS quantitation, then quantitation capability is improved, but interference from matrix components with same Q1 and Q3 masses makes analyte identification difficult
Solution Approach 1:
The patent segments the identification process by using multiple independent fragment ions (requiring at least 2 fragment ions to match) rather than relying on a single fragment ion pair. This segmentation of the identification criteria reduces false positives from matrix interference while maintaining quantitation capability through the MRM approach.
Solution Approach 2:
The patent introduces an intermediary verification step where multiple fragment ions serve as mediators to confirm analyte identity. Instead of directly identifying analytes through single MRM transitions, the system uses multiple fragment ions as intermediate verification points to ensure accurate identification despite matrix interference.
2Productivity
If automated IDA or DDE mode is used, then analysis speed is improved, but difficulty in determining presence and quantity of numerous analytes in complex samples increases
Solution Approach 1:
The patent performs preliminary action by pre-defining multiple fragment ions for each analyte and establishing identification criteria before analysis. This preliminary setup enables the automated system to efficiently process complex samples by comparing detected ions against pre-established patterns, maintaining high throughput while improving detection accuracy.
Solution Approach 2:
The patent changes the identification parameters from traditional single-fragment criteria to multi-fragment ion criteria. By requiring multiple fragment ions to match simultaneously, the system maintains automated processing speed while significantly improving the reliability of analyte detection and quantification in complex matrices.
3Measurement precision
If sample cleanup techniques, isotopically enriched internal standards, or manual intervention are used, then analyte identification accuracy is improved, but practicality decreases when dealing with large numbers of analytes
Solution Approach 1:
The patent implements self-service by enabling the system to automatically perform multi-fragment ion verification and analyte identification without requiring manual intervention or isotopically enriched standards. The automated processing of multiple fragment ions per analyte provides high identification accuracy while maintaining operational efficiency through computer-controlled analysis.
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 enhances the ability to accurately identify and quantify analytes in complex samples by reducing interference and improving peak detection, even in large datasets, by generating combined chromatographic traces that clarify analyte presence and quantity.
Implementation Method 1
an ion source for emitting ions from the sample
Implementation Method 2
The amount of time that the ions take to reach the detector, the 'time-of-flight ', may be used to calculate the ion's mass to charge ratio, m/z
Implementation Method 3
Additional information (in addition to an ion's precursor mass) can then be obtained by fragmenting the ion via CID (collision induced dissociation) in a collision cell
Implementation Method 4
at least one detector configured to detect ion fragments received from the second mass analyzer
Data Source
AI summary
Systems and methods for analyzing compounds in a sample. In one embodiment, the present technology is directed towards a method of analyzing a sample, comprising: emitting ions from the sample; selecting the emitted ions for a designated ion; fragmenting the designated ions; scanning for a plurality of designated ion fragments; determining a designated fragment chromatographic trace for each designated ion fragment; and generating a combined chromatographic trace corresponding to a non-linear combination of a plurality of designated fragment chromatographic traces.