Dataset

Melatonin; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81675 contains the MS 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-Washington_State_Univ-BML81675
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    510958 eMolecules
    56310582 PubChem: Drugs of the Future
    MELATONIN DailyMed
    9019 BindingDB
    MELATONIN rxnorm
    MELATONIN clinicaltrials
    CIRCADIN clinicaltrials
    BCI-049 clinicaltrials
    HY-B0075 MedChemExpress
    1536 Brenda
    30211 Brenda
    DTXSID1022421 EPA CompTox Dashboard
    1672 DrugCentral
    ZINC000000057060 ZINC
    J5.258B Nikkaji
    MELATN CCDC
    CB32130993 ChemicalBook
    DB01065 DrugBank
    C01598 KEGG Ligand
    CHEMBL45 ChEMBL
    1357 Guide to Pharmacology
    16796 ChEBI
    ML1 PDBe
    224 Guide to Pharmacology
    896 PubChem
    60020807 NMRShiftDB
    PD001629 ProbesDrugs
    JL5DK93RCL FDA SRS
    14773848 PubChem: Thomson Pharma
    melatn Recon
    73-31-4 ACToR
    Melatonin Selleck
    LSM-4779 LINCS
    SCHEMBL19018 SureChEMBL
    MCULE-1497884152 Mcule
    171171 Brenda
    CB5364927 ChemicalBook
    16796 Rhea
    melatonin DailyMed
    PA164752558 PharmGKB
    MTBLC16796 Metabolights
    HMDB0001389 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.