Chromatograph Mass Spectrometry with Automatic m/z Method Creation
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Solution Overview
Problem
In multi-component simultaneous analysis, operators face complexity and error risks when setting mass-to-charge ratios for various ions generated from target compounds in chromatograph mass spectrometry, especially for those unfamiliar with mass spectrometry.
Innovation Solution
A chromatograph mass spectrometer with an analysis condition setting unit that allows users to input molecular-weight-related information and mass-spectrometry-related parameters, such as ion polarity and valence, which automatically calculates and sets mass-to-charge ratios for each compound, creating an analysis method for time division mass spectrometry.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If operators manually set mass-to-charge ratios for various ions generated from target compounds, then measurement accuracy can be improved, but operation complexity and error risk increase significantly
Solution Approach 1:
The system performs preliminary automatic calculation of mass-to-charge ratios based on molecular weight information and ion type parameters before measurement. The controller pre-processes the analysis conditions by computing all necessary m/z values for selected ion monitoring, eliminating the need for operators to manually calculate and set each mass-to-charge ratio during operation.
Solution Approach 2:
The system enables self-service operation where the controller automatically generates the complete analysis method including all mass-to-charge ratios based on user-input molecular weights and ion types. The instrument serves itself by internally computing the required measurement parameters without requiring expert operator intervention for complex calculations.
2Adaptability or versatility
If operators manually calculate and set mass-to-charge ratios for multiple ion types, then comprehensive ion detection is achieved, but workload and time consumption increase
Solution Approach 1:
The controller performs preliminary automatic calculation of mass-to-charge ratios for all specified ion types (parent ions, fragment ions, adduct ions, multimer ions) before the measurement begins. This pre-computation encompasses all comprehensive ion detection requirements without requiring operators to spend time on manual calculations during the measurement setup phase.
Solution Approach 2:
The system replaces the manual mechanical process of calculating and setting mass-to-charge ratios with an automated computational system. The controller uses software algorithms to automatically compute all necessary m/z values based on molecular weight and ion type parameters, substituting human calculation effort with machine computation that is both faster and more accurate.
3Measurement precision
If multiple mass-to-charge ratios are set for each target compound to detect various ions, then detection sensitivity improves, but analysis condition setting complexity increases
Solution Approach 1:
The controller performs preliminary automatic generation of all mass-to-charge ratio settings required for detecting various ions (parent, fragment, adduct, multimer) for each target compound. This pre-computation ensures comprehensive ion detection coverage while eliminating the complexity of manual setup, as the system automatically generates the complete analysis condition set based on user-provided molecular weights and ion type specifications.
Solution Approach 2:
The system enables self-service configuration where the controller automatically generates all necessary analysis conditions including multiple mass-to-charge ratios for comprehensive ion detection. The instrument configures itself with the appropriate detection parameters without requiring operators to manually set each mass-to-charge ratio, thereby maintaining high detection sensitivity while reducing setup complexity.
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 solution simplifies the process of setting analysis conditions, reducing operator workload and error likelihood, enabling even non-experts to set conditions correctly and improving measurement efficiency.
Implementation Method 1
a mass spectrometer configured to perform measurement on ions having a specific mass-to-charge ratio derived from each compound temporally separated by the chromatograph unit
Implementation Method 2
a chromatograph unit configured to separate components in a sample
Implementation Method 3
Particularly in an ion source by an electrospray ionization (ESI) method or the like used for LC-MS
Data Source
AI summary
A chromatograph mass spectrometer includes: a chromatograph unit configured to separate components in a sample; a mass spectrometer configured to perform measurement on ions having a specific mass-to-charge ratio derived from each compound temporally separated by the chromatograph unit, an analysis condition setting unit configured to allow a user to set, as an analysis condition, molecular-weight-related information and a mass-spectrometry-related parameter including an ion polarity, a type of an adduct, a number of polymerizations of a multimer and/or an ion valence for each measurement target compound; and an analysis method creator configured to calculate a mass-to-charge ratio of one or a plurality of types of ions according to the analysis condition set by the analysis condition setting unit for the each measurement target compound, and create an analysis method for performing mass spectrometry on the one or a plurality of types of ions in a time division manner.