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: 1,100+ flavonoid motifs and 140+ neutral losses.
• Pesticide library: 1,800+ 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.