NMR

# Metabolite Functional group Multiplicity Shift Number of protons
11 3-Hydroxybutyric acid CH doublet of doublets 2.4 1
12 3-Hydroxybutyric acid CH multiplet 4.136 1
13 3-Hydroxyisovaleric acid (CH3)2 singlet 1.26 6
14 3-Hydroxyisovaleric acid CH2 singlet 2.35 2
15 3-Methyl-2-oxovaleric acid CH3 triplet 0.881 3
16 4-Aminobutyric acid CH2 multiplet 1.89 2
17 4-Aminobutyric acid CH2 triplet 2.284 2
18 4-Aminobutyric acid CH2 triplet 3.001 2
19 Acetic acid CH3 singlet 1.902 3
20 Acetoacetic acid CH3 singlet 2.265 3
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/).