Sample Analysis System with 3D Spectra Correlation
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Solution Overview
Problem
Existing methods for identifying unknown fluorescence substances in three-dimensional fluorescence spectra are hindered by overlapping peaks and require complex calibration processes, leading to inaccurate molecular weight estimation and difficulty in specifying substances with unknown components.
Innovation Solution
A sample analysis system combining a Fluorescence Spectrophotometer, liquid chromatography device, and mass spectrometer to obtain three-dimensional fluorescence, absorption, and mass spectra, respectively, with a controller adjusting axes for simultaneous display, allowing for the estimation of mass information corresponding to fluorescence peaks and thereby identifying unknown substances.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If a size exclusion column and fluorescence detector are used to estimate molecular weight from elution time, then mass information can be obtained, but the accuracy is low because it is a predicted value for calibration samples and requires complex calibration processes
Solution Approach 1:
The patent changes the measurement parameter from indirect elution time-based estimation to direct mass-to-charge ratio measurement using a mass spectrometer. This allows direct acquisition of accurate mass information without relying on calibration curves or predicted values from size exclusion chromatography, thereby improving measurement precision while eliminating complex calibration requirements
Solution Approach 2:
The patent replaces the mechanical separation-based estimation system (size exclusion column with fluorescence detector) with a mass spectrometry-based direct measurement system. This substitution eliminates the need for mechanical calibration processes and provides direct, accurate mass information through electromagnetic field-based ion mass analysis
2Measurement precision
If multiple calibration samples with known molecular weights are prepared to optimize elution conditions, then molecular weight estimation is possible, but the process becomes complicated and time-consuming
Solution Approach 1:
Instead of requiring preliminary preparation of multiple calibration samples and optimization of elution conditions, the patent uses mass spectrometry which directly measures mass-to-charge ratios without needing prior calibration. The instrument is ready for immediate measurement, eliminating time-consuming preliminary actions while maintaining high measurement precision
Solution Approach 2:
The mass spectrometer performs self-calibration and direct measurement without requiring external calibration samples or manual optimization of separation conditions. The system automatically acquires accurate mass information through its intrinsic measurement capabilities, making the process efficient and eliminating time losses associated with manual calibration procedures
3Ease of operation
If fluorescence peak information alone is used for substance identification, then the process is simple, but substance specification is difficult when peaks overlap and multiple candidate peaks are adjacent
Solution Approach 1:
The patent merges fluorescence spectral information with mass spectrometry data to create a combined identification approach. By correlating fluorescence peak positions with accurate mass-to-charge ratio measurements, the system resolves overlapping peaks and adjacent candidate peaks that cannot be distinguished by fluorescence alone, thereby improving identification accuracy while maintaining operational simplicity through integrated data analysis
Solution Approach 2:
The patent introduces mass-to-charge ratio information as an intermediary parameter that mediates between overlapping fluorescence peaks. This additional dimension of information acts as a discriminator that separates adjacent candidate peaks, enabling accurate substance specification even when fluorescence signals overlap, while the automated correlation process maintains ease of operation
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 system enables accurate estimation of mass information for unknown fluorescence peaks, improving substance identification by correlating fluorescence intensity with absorbance and molecular weight, thus overcoming the limitations of previous methods.
Implementation Method 1
A three-dimensional fluorescence spectrum obtained by a Fluorescence Spectrophotometer is effective to recognize an excitation wavelength, a fluorescence wavelength, and a fluorescence intensity of a fluorescence substance contained in a sample
Implementation Method 2
a method using a size exclusion column of a high-performance liquid chromatograph and fluorescence wavelength information of a fluorescence detector to obtain mass information
Implementation Method 3
a mass spectrometer configured to obtain mass information of each of substances obtained by separation according to the elution time
Data Source
AI summary
A sample analysis system includes a Fluorescence Spectrophotometer, a liquid chromatography device, a mass spectrometer, a control device, and a sample introducer. The Fluorescence Spectrophotometer obtains a three-dimensional fluorescence spectrum including an excitation wavelength, a fluorescence wavelength, and a fluorescence intensity. The liquid chromatography device obtains a three-dimensional absorption spectrum including an elution time, an absorption wavelength, and an absorbance. The mass spectrometer obtains a three-dimensional mass spectrum including an elution time, mass information, and an ion intensity. The axes of respective spectra are set on the same scale, and the mass-charge ratio in the three-dimensional mass spectrum data obtained by the mass spectrometer is determined.