Data Resources:

  • Metabolomics data library: Mass spect experiments for 50+ crops including Cereals, Pulses, Feed Crops, etc.
  • Reference metabolome library: Metabolite reference libraries for each of the 50+ crops.
  • Standard compound mass spectra library: 135,400+ experimental spectra and 189,600+ in silico spectra.
  • Flavonoids library: 1100+ flavonoid motifs and 140+ neutral losses.
  • Pesticide library: 1800+ pesticidal compounds and their associated mass spectra (7,200+).

Analytical tools:

    Metabolites Query:

  • Structure Query: Search CropMetabolome Database with a structure sketch.
  • Molecular Weight Query: Search CropMetabolome Database by molecular weight.
  • Combined Query: Search CropMetabolome Database by combined parameters.
  • LC-MS Query: Search CropMetabolome Database by m/z values of precursor ions in acquired crop samples.
  • LC-MS/MS Query: Search CropMetabolome Database by MS1 (parent Ion m/z) and MS2 (fragment Ions m/z) values.

    • Metabolites identification:

  • CropRefMetaBlast: Analyze a sample spectra by comparing with a selected crop reference metabolome.
  • CompoundLibBlast: Analyze and annotate a sample spectra with our standard compound mass spectra libraries.
  • PesticiDiscover: Detecting pesticide residues in samples by searching pesticide library for matching MS/MS spectra.
  • FlavoDiscover: Detecting flavonoid derivatives by matching in-source fragment ions of our flavonoids library.

Citing the CropMetabolome Database :
1.CropMetabolome: a comprehensive metabolome database for major crops cross eight categories (submitted).
2.Li, Xuetong et al. "Expanding the Coverage of the Metabolic Landscape in Cultivated Rice with Integrated Computational Approaches." Genomics, proteomics & bioinformatics, S1672-0229(21)00030-9. 22 Feb. 2021, doi:10.1016/j.gpb.2020.06.018.