API-EI Mass Spectrometry for Library-Searchable Small-Molecule Spectra
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Solution Overview
Problem
Bioanalytical techniques in small molecule drug discovery face challenges with complex mass spectra generated by atmospheric pressure ionization methods, requiring skilled technicians for interpretation, and these spectra are not library searchable, leading to potential misinterpretation and variability across instruments and settings.
Innovation Solution
The integration of atmospheric pressure ionization with electron ionization in a combined API/EI mass spectrometer system, which includes a specific atmospheric pressure interface to focus molecules and ions from atmospheric pressure into an electron ionization source operating at a lower pressure, producing 70 eV EI mass spectra that are searchable using established libraries.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Use of energy by moving object
If atmospheric pressure ionization techniques are used, then ionization efficiency is improved, but mass spectra become complex and difficult to interpret
Solution Approach 1:
The patent introduces an electron ionization source as an intermediary between the atmospheric pressure ionization component and the mass analyzer. This intermediary converts the complex ionization products from atmospheric pressure ionization into simpler, library-searchable mass spectra, thereby maintaining ionization efficiency while resolving interpretation difficulties.
2Measurement precision
If atmospheric pressure ionization is used, then sensitivity is improved, but library searchability deteriorates
Solution Approach 1:
The patent merges atmospheric pressure ionization with electron ionization in a hybrid system. The atmospheric pressure ionization component provides sensitive detection, while the electron ionization component generates standardized spectra compatible with existing libraries, thus combining the advantages of both techniques.
3Adaptability or versatility
If atmospheric pressure ionization techniques are employed, then analyte coverage is improved, but operational complexity increases
Solution Approach 1:
The patent creates a multi-functional ionization system that can handle diverse analytes through atmospheric pressure ionization while producing universal, library-searchable output through electron ionization. This universality maintains broad analyte coverage while simplifying the operational workflow through standardized spectral output.
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 combination simplifies and speeds up mass spectra interpretation, reducing misinterpretation and making it accessible to non-experts, as the system generates library-searchable 70 eV EI mass spectra, enhancing small molecule drug discovery and applicable in various fields including environmental and pharmaceutical applications.
Implementation Method 1
an atmospheric pressure interface to focus molecules and ions from the atmospheric pressure ionization component at the atmospheric pressure into the electron ionization source
Implementation Method 2
electron ionization source which operates at a pressure below about 10−3 Torr... The electron ionization source can include a 70 eV electron ionization source
Data Source
AI summary
An atmospheric pressure electron impact ionization mass spectrometer system includes an atmospheric pressure ionization component operated at an atmospheric pressure. An electron impact ionization mass spectrometer includes an electron ionization source. An atmospheric pressure interface operates below about 10 Torr. The atmospheric pressure interface includes a source block to focus a plurality of molecules and ions from the atmospheric pressure ionization component at the atmospheric pressure into the electron ionization source which operates at a pressure below about 10−3 Torr.