Dataset

ORTHO-CYANOBENZALDEHYDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002095 contains the MS mass spectrum of ORTHO-CYANOBENZALDEHYDE with the InChIkey QVTPWONEVZJCCS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H
SMILES N#Cc(c1)c(C=O)ccc1
InChI Key QVTPWONEVZJCCS-UHFFFAOYSA-N
Molecular Formula C8H5NO
Exact Mass 131.037 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-JP002095
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-formylbenzonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB3101906 ChemicalBook
    20052484 NMRShiftDB
    163895 Brenda
    500341 eMolecules
    7468-67-9 ACToR
    16153872 PubChem: Thomson Pharma
    SCHEMBL98563 SureChEMBL
    ZINC000001499726 ZINC
    DTXSID80225653 EPA CompTox Dashboard
    GEHRIV CCDC
    CHEMBL4469993 ChEMBL
    J14.739G Nikkaji
    251905 Brenda
    MCULE-5787370913 Mcule
    101209 PubChem
    The data in this table is sourced from UniChem at EBI.