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
    91497 PubChem
    1222-05-5 ACToR
    14798910 PubChem: Thomson Pharma
    SCHEMBL115118 SureChEMBL
    60994 Brenda
    196809 Brenda
    CHEMBL1883305 ChEMBL
    83784 ChEBI
    HMDB0244470 Human Metabolome Database
    14170060AT FDA SRS
    J13.040K Nikkaji
    HEXAMETHYLINDANOPYRAN rxnorm
    DTXSID8027373 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.