Dataset

Galaxolidone; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU205304 contains the MS2 mass spectrum of Galaxolidone with the InChIkey PGMHPYRIXBRRQD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H24O2/c1-10-9-20-16(19)13-8-15-14(7-12(10)13)17(3,4)11(2)18(15,5)6/h7-8,10-11H,9H2,1-6H3
SMILES CC1C(C)(C)c2cc3C(C)COC(=O)c3cc2C1(C)C
InChI Key PGMHPYRIXBRRQD-UHFFFAOYSA-N
Molecular Formula C18H24O2
Exact Mass 272.178 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU205304
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MetadataPublished 2015-12-03
Related Molecule
  • 4,6,6,7,8,8-hexamethyl-4,7-dihydro-3H-cyclopenta[g]isochromen-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL4657606 SureChEMBL
    69131857 PubChem
    J2.073.523F Nikkaji
    MTBLC83519 Metabolights
    DTXSID10881089 EPA CompTox Dashboard
    83519 ChEBI
    The data in this table is sourced from UniChem at EBI.