NMR

# Metabolite Functional group Multiplicity Shift Number of protons
31 Lactic acid CH3 doublet 1.314 3
32 Lactic acid CH quartet 4.094 1
33 Leucine (CH3)2 doublet of doublets 0.95 6
34 Methionine CH3 singlet 2.123 3
35 Methionine CH2 triplet 2.62 2
36 Methionine CH doublet of doublets 3.847 1
37 Methionine sulfoxide CH3 singlet 2.768 3
38 N-acetylaspartic acid CH3 singlet 2.005 3
39 N-acetylaspartic acid CH doublet of doublets 2.478 1
40 N-acetylaspartic acid CH doublet of doublets 2.682 1
The table for Nuclear Magnetic Resonance parameters for metabolites - Functional group, Multiplicity, Chemical shift, and Number of protons. The table can be sorted by metabolite name and NMR chemical shift. **Notice!** Here, AMDB presents only the most commonly used NMR signals for identification and quantification, which are considered in real metabolomics experiments on biological tissues. For more detailed information on the NMR properties of compounds, please refer to more specialized databases: Natural Products Magnetic Resonance Database [NP-MRD](https://np-mrd.org/), 13C/1H-NMR Database for Natural Products [CH-NMR-NP](https://www.j-resonance.com/en/nmrdb/), Spectral Database for Organic Compounds [SDBS](https://sdbs.db.aist.go.jp/), Biological Magnetic Resonance Data Bank [BMRB](https://bmrb.io/), Online Spectral Database from Wiley [SpectraBase](https://spectrabase.com/), NMRShiftDB [nmrshiftdb2](https://nmrshiftdb.nmr.uni-koeln.de/).