Dataset

O-METHYLBENZALDEHYDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008702 contains the MS mass spectrum of O-METHYLBENZALDEHYDE with the InChIkey BTFQKIATRPGRBS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
SMILES O=Cc(c1)c(C)ccc1
InChI Key BTFQKIATRPGRBS-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-JP008702
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-methylbenzaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27434 chebi
    CHEMBL1487138 chembl
    29459723 surechembl
    58273 surechembl
    10722 pubchem
    Q7E5H6W6BG fdasrs
    PD158442 probes_and_drugs
    120832 brenda
    124473 brenda
    13209 brenda
    152473 brenda
    24508 brenda
    3593 brenda
    55804 brenda
    61232 brenda
    HMDB0029636 hmdb
    Molport-000-871-244 molport
    85648 bindingdb
    The data in this table is sourced from UniChem at EBI.