Dataset

Harmalol; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81355 contains the MS mass spectrum of Harmalol with the InChIkey CRQDWQWZCNKKAC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,13-14H,4-5H2,1H3
SMILES CC1=C2C(=C3C=CC(=O)C=C3N2)CCN1
InChI Key CRQDWQWZCNKKAC-UHFFFAOYSA-N
Molecular Formula C12H12N2O
Exact Mass 200.095 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-BML81355
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    70031351 NMRShiftDB
    6028-00-8 ACToR
    ZINC000100018523 ZINC
    SCHEMBL15821030 SureChEMBL
    The data in this table is sourced from UniChem at EBI.