Dataset

Habanolide; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU245601 contains the MS2 mass spectrum of Habanolide with the InChIkey KHLFMZDGADSQGR-ACCUITESSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h11,13H,1-10,12,14H2/b13-11+
SMILES C1CCCCCCOC(=O)/C=C/CCCCC1
InChI Key KHLFMZDGADSQGR-ACCUITESSA-N
Molecular Formula C15H26O2
Exact Mass 238.193 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-AU245601
Version
Author
Maintainer
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MetadataPublished 2019-04-05
Related Molecule
  • (3E)-1-oxacyclohexadec-3-en-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL756917 SureChEMBL
    12410118 PubChem
    ZINC000086016356 ZINC
    CB5474545 ChemicalBook
    The data in this table is sourced from UniChem at EBI.