Dataset

Harmine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00121 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-FIO00121
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
    CHEMBL269538 ChEMBL
    HRM PDBe
    28121 ChEBI
    C06538 KEGG Ligand
    DB07919 DrugBank
    12015642 PubChem: Drugs of the Future
    100152 BindingDB
    HY-N0737A MedChemExpress
    DTXSID30196066 EPA CompTox Dashboard
    HARMIN CCDC
    J11.378F Nikkaji
    9352 Guide to Pharmacology
    CB7123131 ChemicalBook
    5280953 PubChem
    15439029 PubChem: Thomson Pharma
    SCHEMBL292955 SureChEMBL
    LSM-5451 LINCS
    4FHH5G48T7 FDA SRS
    HARMINE clinicaltrials
    PD001545 ProbesDrugs
    494767 eMolecules
    216758 Brenda
    ZINC000018847046 ZINC
    HMDB0030311 Human Metabolome Database
    216759 Brenda
    MTBLC28121 Metabolights
    6774 Brenda
    MCULE-9544425288 Mcule
    10018937 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.