Dataset

Octocrylene; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU250102 contains the MS2 mass spectrum of Octocrylene with the InChIkey FMJSMJQBSVNSBF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
SMILES CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1
InChI Key FMJSMJQBSVNSBF-UHFFFAOYSA-N
Molecular Formula C24H27NO2
Exact Mass 361.204 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU250102
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MetadataPublished 2019-04-08
Related Molecule
  • 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB09535 drugbank
    CHEBI:135526 chebi
    CHEMBL1201147 chembl
    16483 surechembl
    22571 pubchem
    40424580 pubchem
    40501116 pubchem
    5A68WGF6WM fdasrs
    PD012322 probes_and_drugs
    HMDB0255910 hmdb
    Molport-003-932-341 molport
    3395 drugcentral
    The data in this table is sourced from UniChem at EBI.