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 pdbe
    HMDB0006236 hmdb
    DTXSID3021483 comptox
    Molport-001-780-108 molport
    The data in this table is sourced from UniChem at EBI.