Dataset

Harmine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00123 contains the MS2 mass spectrum of Harmine with the InChIkey BXNJHAXVSOCGBA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
SMILES CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC
InChI Key BXNJHAXVSOCGBA-UHFFFAOYSA-N
Molecular Formula C13H12N2O
Exact Mass 212.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00123
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB07919 drugbank
    CHEBI:28121 chebi
    HRM rcsb_pdb
    CHEMBL269538 chembl
    292955 surechembl
    29440552 surechembl
    29941920 surechembl
    5280953 pubchem
    4FHH5G48T7 fdasrs
    HRM - Ideal conformer pdbe
    9352 gtopdb
    PD001545 probes_and_drugs
    HARMIN CCDC
    189393 brenda
    216758 brenda
    216759 brenda
    6774 brenda
    HMDB0030311 hmdb
    100152 bindingdb
    The data in this table is sourced from UniChem at EBI.