Dataset

Azulene; APCI-Q; MS; Positive; DART

This MassBank record with Accession MSBNK-MSSJ-MSJ00082 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 C1=CC=C2C=CC=C2C=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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ00082
Version
Author
Maintainer
Language
MetadataPublished 2018-12-17
Related Molecule
  • azulene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:31249 chebi
    CHEMBL3272628 chembl
    8463 surechembl
    9231 pubchem
    82R6M9MGLP fdasrs
    PD157986 probes_and_drugs
    AZLENE CCDC
    105502 brenda
    HMDB0248822 hmdb
    Molport-001-787-037 molport
    The data in this table is sourced from UniChem at EBI.