Dataset

PHENYLACETALDEHYDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009418 contains the MS mass spectrum of PHENYLACETALDEHYDE with the InChIkey DTUQWGWMVIHBKE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
SMILES O=CCc(c1)cccc1
InChI Key DTUQWGWMVIHBKE-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-JP009418
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-phenylacetaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02178 drugbank
    CHEBI:16424 chebi
    HY1 rcsb_pdb
    CHEMBL1233464 chembl
    18972 surechembl
    1951706 surechembl
    8571518 surechembl
    998 pubchem
    U8J5PLW9MR fdasrs
    PD008156 probes_and_drugs
    108739 brenda
    153698 brenda
    16761 brenda
    17670 brenda
    193463 brenda
    218814 brenda
    23159 brenda
    24507 brenda
    36194 brenda
    38599 brenda
    43194 brenda
    769 brenda
    HY1 - Ideal conformer pdbe
    HMDB0006236 hmdb
    Molport-001-780-108 molport
    The data in this table is sourced from UniChem at EBI.