Dataset

M-METHYLBENZALDEHYDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008703 contains the MS mass spectrum of M-METHYLBENZALDEHYDE with the InChIkey OVWYEQOVUDKZNU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
SMILES O=Cc(c1)cc(C)cc1
InChI Key OVWYEQOVUDKZNU-UHFFFAOYSA-N
Molecular Formula C8H8O
Exact Mass 120.058 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-JP008703
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-methylbenzaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28476 chebi
    CHEMBL4475423 chembl
    29456572 surechembl
    65797 surechembl
    12105 pubchem
    OWH6650C4Y fdasrs
    PD157977 probes_and_drugs
    11138 brenda
    124431 brenda
    25820 brenda
    2710 brenda
    36483 brenda
    55795 brenda
    HMDB0029637 hmdb
    Molport-000-158-669 molport
    85649 bindingdb
    The data in this table is sourced from UniChem at EBI.