Dataset

Harman; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR305161 contains the MS2 mass spectrum of Harman with the InChIkey PSFDQSOCUJVVGF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
SMILES CC1=C2NC3=CC=CC=C3C2=CC=N1
InChI Key PSFDQSOCUJVVGF-UHFFFAOYSA-N
Molecular Formula C12H10N2
Exact Mass 182.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305161
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 1-methyl-9H-pyrido[3,4-b]indole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:5623 chebi
    CN9 rcsb_pdb
    CHEMBL12014 chembl
    141723 surechembl
    29630272 surechembl
    5281404 pubchem
    82D6J0535P fdasrs
    PD001546 probes_and_drugs
    ZZZTDW CCDC
    266045 brenda
    266046 brenda
    5155 brenda
    5773 brenda
    CN9 pdbe
    HMDB0035196 hmdb
    DTXSID80197568 comptox
    Molport-000-875-443 molport
    50013786 bindingdb
    The data in this table is sourced from UniChem at EBI.