Dataset

AZULENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001584 contains the MS mass spectrum of AZULENE with the InChIkey CUFNKYGDVFVPHO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
SMILES C(=C2)C=CC(=C1)C(=C2)C=C1
InChI Key CUFNKYGDVFVPHO-UHFFFAOYSA-N
Molecular Formula C10H8
Exact Mass 128.063 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-Fac_Eng_Univ_Tokyo-JP001584
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • azulene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15170652 PubChem: Thomson Pharma
    275-51-4 ACToR
    PD157986 ProbesDrugs
    82R6M9MGLP FDA SRS
    479187 eMolecules
    CB2440183 ChemicalBook
    105502 Brenda
    MTBLC31249 Metabolights
    9231 PubChem
    10016513 NMRShiftDB
    MCULE-9439882903 Mcule
    SCHEMBL8463 SureChEMBL
    CHEMBL3272628 ChEMBL
    J39.308H Nikkaji
    HY-B0055 MedChemExpress
    AZLENE CCDC
    HMDB0248822 Human Metabolome Database
    ZINC000001570209 ZINC
    DTXSID2059770 EPA CompTox Dashboard
    31249 ChEBI
    C13392 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.