Dataset

Galaxolide; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU244903 contains the MS2 mass spectrum of Galaxolide with the InChIkey ONKNPOPIGWHAQC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
SMILES CC1C(C)(C)C2=CC3=C(C=C2C1(C)C)C(C)COC3
InChI Key ONKNPOPIGWHAQC-UHFFFAOYSA-N
Molecular Formula C18H26O
Exact Mass 258.198 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-AU244903
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MetadataPublished 2019-04-05
Related Molecule
  • 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83784 chebi
    CHEMBL1883305 chembl
    115118 surechembl
    29371876 surechembl
    91497 pubchem
    14170060AT fdasrs
    196809 brenda
    60994 brenda
    HMDB0244470 hmdb
    Molport-003-960-203 molport
    The data in this table is sourced from UniChem at EBI.