Dataset

Harmine; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81367 contains the MS 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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81367
Version
Author
Maintainer
Language
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 pdbe
    9352 gtopdb
    PD001545 probes_and_drugs
    HARMIN CCDC
    189393 brenda
    216758 brenda
    216759 brenda
    6774 brenda
    HMDB0030311 hmdb
    DTXSID30196066 comptox
    NCT04716335 clinicaltrials
    NCT05526430 clinicaltrials
    NCT05780216 clinicaltrials
    NCT05829603 clinicaltrials
    100152 bindingdb
    The data in this table is sourced from UniChem at EBI.