Dataset

Norharman; LC-ESI-QFT; MS2; CE: 61.67%; R=35000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA007501 contains the MS2 mass spectrum of Norharman with the InChIkey AIFRHYZBTHREPW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
SMILES c1ccc2c(c1)c3ccncc3[nH]2
InChI Key AIFRHYZBTHREPW-UHFFFAOYSA-N
Molecular Formula C11H8N2
Exact Mass 168.069 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA007501
Version
Author
Maintainer
Language
MetadataPublished 2017-08-17
Related Molecule
  • 9H-pyrido[3,4-b]indole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL275224 ChEMBL
    109895 ChEBI
    12015776 PubChem: Drugs of the Future
    HY-W008566 MedChemExpress
    8222 Guide to Pharmacology
    MCULE-7379210172 Mcule
    50013811 BindingDB
    ZINC000000066039 ZINC
    J10.931B Nikkaji
    ZZZRNY CCDC
    DTXSID2021070 EPA CompTox Dashboard
    14843142 PubChem: Thomson Pharma
    64961 PubChem
    PD001542 ProbesDrugs
    NRH PDBe
    CE3087 Recon
    244-63-3 ACToR
    SCHEMBL25834 SureChEMBL
    LSM-19021 LINCS
    592796 eMolecules
    25822 Brenda
    16543 Brenda
    2303 Brenda
    HMDB0012897 Human Metabolome Database
    CB5431618 ChemicalBook
    MTBLC109895 Metabolights
    94HMA1I78O FDA SRS
    88457 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.