Mass Spectrometry Radical Irradiation for Unsaturated Bond Mapping

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Solution Overview

Problem

Current methods for inferring the position of unsaturated bonds in fatty acid hydrocarbon chains, such as LE-CID and HE-CID, face challenges in selectivity and accuracy due to energy distribution and the use of reactive ozone, which can damage mass spectrometer equipment, and existing methods struggle with high-accuracy detection under varying conditions.

Innovation Solution

A mass spectrometry method involving irradiation of precursor ions with oxygen radicals and nitrogen oxide radicals to generate product ions, allowing for accurate inference of unsaturated bond positions through specific mass differences without the need for high-resolution mass spectrometry, using a mass spectrometer with a radical generation and irradiation unit and separation detection system.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If ozone is introduced into the ion trap to react with unsaturated fatty acid for selective dissociation, then the position of unsaturated bond can be inferred, but the electrodes and insulators may be oxidized and the mass spectrometer performance deteriorates

Engineering Contradiction:
Improveunsaturated bond position inference accuracyVSAvoidequipment oxidation and damage
Core Design Contradiction:
Measurement precisionVSObject-affected harmful factors

Solution Approach 1:

The patent introduces a reaction chamber as an intermediary component between the ion source and mass analyzer. Precursor ions are generated and then transferred to this dedicated reaction chamber where ozone or other reagents can be safely introduced to induce selective dissociation at unsaturated bond positions. The reaction chamber acts as a protected environment that prevents direct contact between reactive species and sensitive mass spectrometer components, thereby maintaining measurement precision while protecting equipment from oxidation and damage.

Inventive Principle:
Principle #24Intermediary (Mediator)

2Measurement precision

If high-energy collision induced dissociation (HE-CID) or electron beam irradiation is used to generate product ions, then unsaturated bond position can be inferred through intensity comparison, but the selectivity and accuracy are reduced due to energy distribution

Engineering Contradiction:
Improveunsaturated bond position inference accuracyVSAvoiddetection accuracy under varying conditions
Core Design Contradiction:
Measurement precisionVSReliability

Solution Approach 1:

The patent employs chemical reaction-based dissociation in a dedicated reaction chamber where precursor ions react with ozone or other reagents. This approach creates localized selective dissociation at unsaturated bond positions through specific chemical reactions, rather than distributing energy throughout the entire molecule as in HE-CID or electron beam methods. The local quality of the chemical reaction ensures high selectivity and reliability for inferring unsaturated bond positions, as the reaction specifically targets the unsaturated bonds while leaving other parts of the molecule unaffected.

Inventive Principle:
Principle #3Local quality

3Ease of manufacture

If LE-CID method is used to vibrate precursor ion and collide with inert gas, then dissociation is induced, but the energy is distributed throughout the molecule resulting in low selectivity for unsaturated bond position

Engineering Contradiction:
Improvesimplicity of analysis methodVSAvoidunsaturated bond position inference accuracy
Core Design Contradiction:
Ease of manufactureVSMeasurement precision

Solution Approach 1:

The patent fundamentally changes the dissociation mechanism from physical vibration and collision (LE-CID) to chemical reaction with ozone or other reagents. By changing the parameter of energy delivery from distributed kinetic energy to localized chemical bond breaking, the method achieves high selectivity for unsaturated bond positions while maintaining operational simplicity. The chemical reaction parameter change ensures that only unsaturated bonds are affected, providing accurate position inference without the need for complex energy distribution control.

Inventive Principle:
Principle #35Parameter changes

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 enables simple and high-accuracy inference of unsaturated bond positions in hydrocarbon chains, reducing equipment damage risks and eliminating the need for high-resolution mass spectrometers, by generating product ions with distinct mass differences for precise bond location determination.

Implementation Method 1

a radical generation unit configured to generate an oxygen radical or a hydroxy radical and a nitrogen oxide radical

Methodology Applied
Scientific EffectPlasma: Plasma

Implementation Method 2

irradiating the precursor ion with an oxygen radical or a hydroxy radical and a nitrogen oxide radical to generate product ions

Methodology Applied
Scientific EffectIon dissociation:

Implementation Method 3

separating the product ions according to the mass-to-charge ratio, and detecting the product ions

Methodology Applied
Scientific EffectElectromagnetic separation:

Data Source

PatentUS12051580B2Mass spectrometry method and mass spectrometer
Publication Date: 2024.07.30 SHIMADZU CORP
  • US12051580B2 patent drawing
  • US12051580B2 patent drawing
  • US12051580B2 patent drawing

AI summary

In a mass spectrometry method for generating product ions from a precursor ion derived from a sample component having a hydrocarbon chain and mass-analyzing the product ion, the precursor ion is irradiated with an oxygen radical or a hydroxy radical and a nitrogen oxide radical to generate product ions, the product ions are separated according to mass-to-charge ratio and the product ions are detected, and a structure of the hydrocarbon chain is inferred based on mass-to-charge ratio of the detected product ions.