Functionalized Calibrant Compositions for Broad IMS and IM-MS Calibration
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Solution Overview
Problem
Existing calibrants for ion mobility spectrometry (IMS) and ion mobility-mass spectrometry (IM-MS) have a limited range for both collisional cross section (CCS) and mass-to-charge ratio (m/z) dimensions, with narrow peak widths in the CCS dimension, which restricts their analytical capabilities.
Innovation Solution
The development of calibrant compositions comprising multifunctional cores and/or dendrimers with peripheral functionalities, such as alcohol or amine functionalized cores, which are esterified or amidated to create compounds with expanded CCS and m/z ranges, enabling broader calibration ranges while maintaining narrow peak widths.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Adaptability or versatility
If existing calibrants are used for IMS and IM-MS, then the calibration process is simple, but the range for CCS and m/z values is limited
Solution Approach 1:
The calibrant composition is segmented into multiple distinct calibrant compounds, each with specific CCS and m/z characteristics. This segmentation allows the composition to cover a broader calibration range by combining the properties of individual compounds rather than relying on a single calibrant with limited range.
Solution Approach 2:
The invention uses a composite calibrant composition comprising multiple calibrant compounds with different collisional cross sections and mass-to-charge ratios. This composite approach enables simultaneous calibration across both CCS and m/z dimensions, expanding the overall calibration range while maintaining analytical simplicity.
2Adaptability or versatility
If calibrants with wider CCS range are used, then the analytical capabilities are enhanced, but the peak width in CCS dimension increases
Solution Approach 1:
Each calibrant compound in the composition possesses specific local quality characteristics - particular CCS and m/z values optimized for specific calibration regions. By selecting compounds with complementary properties, the composition achieves wide overall range while each individual compound maintains narrow, well-defined peaks for precise measurement.
Solution Approach 2:
The invention changes the parameters of individual calibrant compounds (selecting specific molecular weights, shapes, and compositions) to optimize both the range coverage and peak sharpness. Each compound is selected or designed to have specific CCS and m/z parameters that contribute to the overall calibration range while maintaining narrow peak widths for high precision.
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
These calibrants provide significantly expanded ranges for CCS and m/z values, with CCS values exceeding 800 Ų and m/z values up to 5500 for singly charged species, more than doubling the range of existing calibrants, thereby enhancing the analytical capabilities of IMS and IM-MS systems.
Implementation Method 1
The time taken for an ion to drift through the tube is related to its rotationally averaged cross-sectional area-that is, the area covered by a particle, or more simply its collision cross-section (CCS). Compact structures travel faster than more elongated (extended) ions, due to fewer interactions with the drift gas.
Implementation Method 2
The application of a static uniform electric field then propels these ions in the direction of the applied field
Data Source
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AI summary
Calibrants and methods of making the same include using mixtures of multifunctional core compounds or multifunctional dendrimers that are functionalized to yield a set of discrete compounds which cover a range of collisional cross sections (CCSs) for calibrating ion mobility and variation in molecular weight to calibrate the mass to charge (m/z) measurements of mass spectrometry, as well as for calibrating tandem instruments that measure both dimensions. Methods of using the calibrants are also disclosed, such as in mass spectrometry.