Dataset

3-PHENYLBUTANAL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010852 contains the MS mass spectrum of 3-PHENYLBUTANAL with the InChIkey MYHGOWDLVRDUFA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
SMILES O=CCC(C)c(c1)cccc1
InChI Key MYHGOWDLVRDUFA-UHFFFAOYSA-N
Molecular Formula C10H12O
Exact Mass 148.089 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-JP010852
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-phenylbutanal
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    128288 Brenda
    CHEMBL3187537 ChEMBL
    J82.489E Nikkaji
    62860 Brenda
    CB3439256 ChemicalBook
    1B5MVX2XGA FDA SRS
    DTXSID4047098 EPA CompTox Dashboard
    30102059 NMRShiftDB
    495033 eMolecules
    SCHEMBL1256 SureChEMBL
    15114481 PubChem: Thomson Pharma
    16251-77-7 ACToR
    85979 PubChem
    108211-22-9 ACToR
    The data in this table is sourced from UniChem at EBI.