Automated CCDB Identification via CID and OzID Mass Spectrometry
Find Innovative SolutionsGenerate Solutions
Solution Overview
Problem
Current mass spectrometry methods require manual intervention and prior knowledge to identify carbon-carbon double bonds (CCDBs) in molecules, limiting their unambiguous identification and characterization, especially in complex samples like lipids and biofuels.
Innovation Solution
The method involves subjecting analyte ions to collision-induced dissociation (CID) and ozone-induced dissociation (OzID) based on mass spectrometric analysis, determining the number and location of CCDBs by analyzing relationships between ions and fragments, and utilizing masses of charged or neutral fragments to decide on OzID, enabling automated identification and characterization.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Extent of automation
If manual intervention and a priori knowledge are used for OzID, then CCDB identification can be performed, but the method lacks automation and requires prior knowledge of CCDB presence
Solution Approach 1:
The system performs preliminary CID analysis to identify candidate ions that may contain CCDBs based on neutral loss patterns, before subjecting them to OzID. This preliminary screening automates the selection process and eliminates the need for a priori knowledge of which ions contain CCDBs.
Solution Approach 2:
The system uses feedback from CID neutral loss measurements to control subsequent OzID experiments. The neutral loss data provides information about potential CCDB-containing ions, which feeds into the decision-making process for selecting ions to undergo OzID, creating an automated closed-loop system.
2Measurement precision
If comprehensive structural characterization is performed using multiple techniques, then complete analyte information is obtained, but analysis time increases beyond liquid chromatography timescales
Solution Approach 1:
The system merges CID and OzID techniques into a single integrated workflow that can be performed within the same mass spectrometer without removing the analyte. This combination allows comprehensive structural characterization (both backbone and CCDB information) to be obtained in a single continuous analysis, maintaining productivity at liquid chromatography timescales.
Solution Approach 2:
CID is performed as a preliminary action to obtain general structural information and identify candidate ions before OzID is applied. This sequential approach within a single workflow enables complete structural characterization without requiring separate, time-consuming analysis steps.
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 allows for rapid and automated identification of CCDBs in analytes, such as lipids and petrochemicals, on timescales compatible with liquid chromatography, enhancing diagnostic and analytical capabilities in healthcare and biofuel processing.
Implementation Method 1
subjecting its ions to collision-induced dissociation (CID)
Implementation Method 2
ozone-induced dissociation (OzID), which uses the well-established reaction of ozone with CCDBs to cleave these functionalities
Data Source
AI summary
The applicants' teachings provide in some aspects methods and apparatus for mass spectrometric analysis that identify the location of carbon-carbon double bonds, if any, in an analyte by (1) obtaining the m/z ratio of the intact analyte ions, (2) subjecting these ions to collision-induced dissociation and (3) determining relationships between masses and/or mass-to-charge ratios of the intact analyte ions and the fragments produced by such collision-induced dissociation. The methods and apparatus selectively subject analyte ions to ozone-induced dissociation based on those relationships and determine location(s) of carbon-carbon double bonds, if any, from reaction products of ozone-induced dissociation.