MMHub

MMHub aggregates electrospray ionization tandem mass spectrometry (ESI-MS2) spectra and curated annotations of small chemical compounds from mulberry leaves, including flavonoids, amino acids, alkaloids, and vitamins, to support metabolomic analysis.

Key Features:

• Mass Spectrometry Data Repository: MMHub v1.0 stores ESI-MS2 data for metabolites with molecular weights <1000 Da, comprising 936 spectra from 91 distinct mulberry resources analyzed in two biological duplicates.
• Metabolite Identification and Annotation: The database contains 124 metabolites identified or tentatively annotated, with detailed chemical structures provided for 90 metabolites.
• Supporting Information and Cross-References: Entries include PubChem compound details, molecular formulas, and metabolite classifications organized into an MS2 spectral tag library.

Scientific Applications:

• Screening of mulberry resources: Enables screening and comparative assessment of mulberry germplasm and specific metabolites across resources.
• Bioactive compound discovery: Supports identification of potential bioactive compounds with therapeutic or nutritional relevance.
• Comparative metabolomics: Facilitates analysis of metabolic diversity and composition across mulberry samples.
• Support for applied research: Provides spectral and annotation data applicable to pharmacology and agricultural studies.

Methodology:

Data were generated by electrospray ionization tandem mass spectrometry (ESI-MS2) and organized into an MS2 spectral tag library.