Collision Energy Spread Method for Mass Spectrometer

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Solution Overview

Problem

The conventional collision energy spread method in mass spectrometry results in significant changes in the cumulative mass spectrum pattern when the number of collision energy values changes, making compound identification and comparison challenging.

Innovation Solution

A method and mass spectrometer that determine a specific number of collision energy values within a given range to ensure that additional values are included, maintaining a consistent spectrum pattern by incorporating one additional value different from existing values, ensuring high accuracy in compound identification and comparison across different conditions.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Quantity of substance

If the number of collision energy values is increased to improve the comprehensiveness of product ion information, then the measurement time and analysis complexity increase significantly

Engineering Contradiction:
Improvenumber of collision energy valuesVSAvoidmeasurement time
Core Design Contradiction:
Quantity of substanceVSLoss of time

Solution Approach 1:

The patent applies parameter changes by systematically varying collision energy values across multiple measurement cycles. Different collision energy values are applied to the same precursor ion to generate diverse product ion spectra, which are then accumulated to provide comprehensive structural information without requiring excessive measurement time at any single energy level.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent implements preliminary action by performing multiple product ion scans at different collision energy values and accumulating the spectra in advance. This accumulated spectrum serves as a comprehensive reference that can be used for subsequent compound identification and structural analysis, eliminating the need for repeated measurements under varying conditions.

Inventive Principle:
Principle #10Preliminary action

2Quantity of substance

If the number of collision energy values is increased to obtain more product ion information, then the number of accumulation times and measurement complexity increase

Engineering Contradiction:
Improvenumber of collision energy valuesVSAvoidmeasurement complexity
Core Design Contradiction:
Quantity of substanceVSDevice complexity

Solution Approach 1:

The patent applies universality by designing an accumulated product ion spectrum that serves multiple functions: it provides comprehensive structural information for compound identification, enables database searching and pattern matching, and can be used for both qualitative and quantitative analysis. This single accumulated spectrum replaces the need for multiple separate measurements under different collision energy conditions.

Inventive Principle:
Principle #6Universality (Multi-functionality)

3Adaptability or versatility

If conventional collision energy values are used, then the cumulative mass spectrum pattern changes significantly with different numbers of CE values, making compound identification difficult

Engineering Contradiction:
Improveflexibility in CE value selectionVSAvoidspectrum pattern consistency
Core Design Contradiction:
Adaptability or versatilityVSMeasurement precision

Solution Approach 1:

The patent implements feedback by accumulating product ion spectra from multiple collision energy measurements and using this accumulated data for compound identification. The accumulated spectrum provides a comprehensive fingerprint that can be compared against database references, enabling accurate identification even when the number of collision energy values varies between measurements.

Inventive Principle:
Principle #23Feedback

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 stabilizes the cumulative mass spectrum pattern, enabling accurate compound identification and comparison, even when the number of collision energy values changes, by maintaining a high percentage of common values, thus enhancing the flexibility in analysis conditions and sensitivity of product ion information.

Implementation Method 1

Ions having a predetermined amount of energy (collision energy) are introduced into the collision cell and made to collide with a collision gas so as to induce collision induced dissociation (CID) and thereby dissociate the ions

Methodology Applied
Scientific EffectCollision induced dissociation (CID):

Data Source

PatentUS20230245875A1Method for mass spectrometry and mass spectrometer
Publication Date: 2023.08.03 SHIMADZU CORP
  • US20230245875A1 patent drawing
  • US20230245875A1 patent drawing
  • US20230245875A1 patent drawing

AI summary

In a mass spectrometer provided with a measurement section (1) including a collision cell (17) and a mass separator (20-23) for a mass spectrometric analysis of product ions, a CES-method-condition determiner (321) determines collision-energy (CE) values for a collision energy spread (CES) method according to given conditions including the range and number of CE values, in such a manner that n+1 CE values to be used when the number is n+1 (where n is an integer equal to or greater than three) include n collision-energy values used when the number is n and one additional CE value different from the n CE values. An analysis controller (30) sequentially changes the collision energy to the n+1 CE values and controls the measurement section to execute an MS/MS analysis under each CE value. A data processor (33) obtains a cumulative mass spectrum by accumulating mass spectra respectively obtained under different CE values.