Dataset

Melatonin; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01102305 contains the MS2 mass spectrum of Melatonin with the InChIkey DRLFMBDRBRZALE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
SMILES CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
InChI Key DRLFMBDRBRZALE-UHFFFAOYSA-N
Molecular Formula C13H16N2O2
Exact Mass 232.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01102305
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01065 drugbank
    CHEBI:16796 chebi
    ML1 rcsb_pdb
    CHEMBL45 chembl
    19018 surechembl
    29349848 surechembl
    896 pubchem
    JL5DK93RCL fdasrs
    ML1 - Ideal conformer pdbe
    1357 gtopdb
    224 gtopdb
    PD001629 probes_and_drugs
    MELATN CCDC
    1536 brenda
    171171 brenda
    30211 brenda
    HMDB0001389 hmdb
    Molport-000-737-883 molport
    9019 bindingdb
    The data in this table is sourced from UniChem at EBI.