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Organic acid quantitation by NeuCode methylamidation.

Arne Ulbrich¹, Derek J Bailey, Michael S Westphall

¹Department of Chemistry, University of Wisconsin-Madison , 1101 University Avenue, Madison, Wisconsin 53706, United States.

Analytical Chemistry

|April 2, 2014

Summary

This summary is machine-generated.

We developed a new quantitative analysis method for carboxylic acids using neutron encoded (NeuCode) labels for multiplexed detection. This technique accurately identifies adulteration in olive oil by analyzing fatty acid derivatives.

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Area of Science:

Analytical Chemistry
Mass Spectrometry
Organic Chemistry

Background:

Quantitative analysis of carboxylic acids is crucial in various fields.
Existing methods may lack multiplexing capabilities or sensitivity.
Small molecule analysis presents unique challenges in quantitation.

Purpose of the Study:

To develop a novel multiplexed quantitative analysis method for carboxylic acids.
To apply this method for detecting adulteration in food products like olive oil.
To demonstrate the utility of neutron encoded (NeuCode) labeling for small molecule quantitation.

Main Methods:

Development of a liquid chromatography high-resolution mass spectrometry (LC-HRMS) method.
Utilizing neutron encoded (NeuCode) methylamine labels (13C or 15N enriched) for derivatization.
Employing mass defect measurement for duplex quantitation.
Validation using Gas Chromatography-Mass Spectrometry (GC/MS).

Main Results:

Successful development of a multiplexed quantitative analysis method for carboxylic acids.
First-time application of NeuCode quantitation to small molecules.
Detection of olive oil adulteration through quantitative analysis of fatty acid methyl amide derivatives.
Validation of quantitative accuracy by GC/MS.

Conclusions:

The developed NeuCode-based LC-HRMS method provides accurate multiplexed quantitation of carboxylic acids.
This technique is effective for detecting adulteration in complex matrices like olive oil.
The method is currently capable of duplex quantitation and is expandable to at least 6-plex analysis, offering significant potential for various applications.