Two-dimensional code enables visibly mapping herbal medicine chemome: an application in Ganoderma lucidum

Area of Science:

• Analytical Chemistry
• Cheminformatics
• Pharmacognosy

Background:

• Herbal medicine authentication relies on chemical profiling, but complex chemical compositions pose challenges.
• Two-dimensional (2D) codes offer a high-capacity data storage solution suitable for capturing intricate herbal medicine chemomes.

Purpose of the Study:

• To develop and validate a novel method for encoding and decoding mass spectrometry/mass spectrometry (MS/MS) datasets of herbal medicines into 2D codes.
• To assess the applicability of this 2D-code system for rapid authentication and differentiation of herbal medicine species, exemplified by Ganoderma lucidum.

Main Methods:

• Developed a workflow to convert MS/MS data (precursor ions and fragment ions) into 2D code coordinates.
• Utilized liquid chromatography-tandem mass spectrometry (LC-MS/MS) for data acquisition from Ganoderma lucidum.
• Implemented a decoding process to retrieve m/z values and identify compounds using fragmentation rules.

Main Results:

• Successfully generated a unique 2D code representing the compound set of Ganoderma lucidum fruit bodies.
• Demonstrated that the 2D code is robust against variations in elution programs and direct infusion.
• Observed significant differences in 2D codes between different species and parts of Ganoderma lucidum, with diagnostic compounds identified.

Conclusions:

• The developed 2D-code system provides a practical and visual method for rapid herbal medicine recognition.
• Facilitates convenient conversion between MS/MS datasets, 2D-barcode plots, and chemomic information.
• Offers a promising tool for ensuring the quality and authenticity of herbal medicines.