NMR

# Metabolite Functional group Multiplicity Shift Number of protons
41 N-acetylhistidine CH3 singlet 1.967 3
42 N-acetylhistidine CH doublet of doublets 2.997 1
43 N-acetylhistidine CH doublet of doublets 3.156 1
44 N-acetylhistidine CH doublet of doublets 4.436 1
45 N-acetylhistidine CH doublet 7.055 1
46 N-acetylhistidine CH doublet 8.063 1
47 Pantothenic acid CH3 singlet 0.882 3
48 Pantothenic acid CH3 singlet 0.918 3
49 Pantothenic acid CH2 triplet 2.405 2
50 Pantothenic acid CH singlet 3.971 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/).