Carbohydrate Structure Determination via IM-MS
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Solution Overview
Problem
Current methods for determining carbohydrate structure, such as NMR and MS, face challenges with stereoisomer differentiation, require large sample amounts, and have poor detection limits, limiting the analysis of complex carbohydrate structures efficiently and accurately.
Innovation Solution
The use of ion mobility-mass spectrometry (IM-MS) in negative ionization mode, combined with fragmentation, allows for the determination of carbohydrate structure by measuring collision cross section and mass-to-charge ratio values, enabling the differentiation of isomers and stereochemistry with minimal sample consumption.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If NMR is used to determine carbohydrate structure, then configurational information can be obtained, but large amounts of sample are required and the method is time consuming
Solution Approach 1:
The patent replaces NMR (nuclear magnetic resonance) with ion mobility-mass spectrometry (IM-MS). This substitution uses electrical and mass-based separation mechanisms instead of magnetic resonance, enabling structure determination with minimal sample consumption while maintaining the ability to distinguish stereoisomers through collision cross section measurements.
Solution Approach 2:
The patent changes the measurement parameters from NMR spectral data to mass-to-charge ratio and collision cross section data. By measuring the drift time of ions through a gas phase under electric field influence, the method obtains structural information including stereochemistry with much lower sample requirements compared to NMR.
2Productivity
If MS is used to analyze carbohydrate composition, then fast analysis with minimal sample is achieved, but stereoisomers cannot be distinguished
Solution Approach 1:
The patent merges mass spectrometry (MS) with ion mobility (IM) spectroscopy to create IM-MS. This combination integrates the fast analysis capability of MS with the stereoisomer differentiation capability of ion mobility, allowing simultaneous measurement of mass-to-charge ratio and collision cross section to distinguish stereoisomers rapidly.
Solution Approach 2:
The patent adds a new dimension to mass spectrometry by incorporating ion mobility separation. Instead of relying solely on mass-to-charge ratio, the method introduces collision cross section as an additional parameter, creating a two-dimensional separation space that enables stereoisomer differentiation while maintaining fast analysis speed.
3Measurement precision
If LC is used to differentiate configurational isomers, then separation is achieved, but unambiguous identification is often not possible
Solution Approach 1:
The patent replaces liquid chromatography (LC) with ion mobility-mass spectrometry (IM-MS). This substitution uses gas-phase ion mobility separation under electric field influence instead of liquid-phase chromatographic separation, providing both separation and definitive identification through the combination of mass-to-charge ratio and collision cross section measurements.
Solution Approach 2:
The patent introduces an inert gas (such as nitrogen or helium) as an intermediary medium for ion mobility separation. Ions drift through this gas under electric field influence, and the collision cross section measurements provide definitive structural information that enables unambiguous identification of configurational isomers.
4Measurement precision
If NMR is used to determine carbohydrate structure, then detailed connectivity information can be obtained, but the method is time consuming and requires large sample amounts
Solution Approach 1:
The patent replaces NMR with ion mobility-mass spectrometry (IM-MS), substituting magnetic resonance-based connectivity determination with mass-and-mobility-based structural analysis. This enables connectivity information to be obtained rapidly through measurement of mass-to-charge ratio and collision cross section with minimal sample consumption.
Data Source
AI summary
The present invention relates to a method for determining in an expedient manner and with minimal sample consumption the structure of an unknown carbohydrate by using ion mobility-mass spectrometry (IM-MS) in negative ionization mode and fragmentation and a database containing structures of carbohydrates and/or of the fragments of the negative ions of carbohydrates, and for each of the structures of the target carbohydrates the collision cross section value and the mass-to-charge ratio value of the negative ion thereof, and for each of the structures of the fragments of the negative ions of the target carbohydrates the collision cross section value and the mass-to-charge ratio value of the fragment of the negative ion of the target carbohydrate.