Dataset

Achillin; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80681 contains the MS mass spectrum of Achillin with the InChIkey BJPSSVHNEGMBDQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3
SMILES CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)C)C
InChI Key BJPSSVHNEGMBDQ-UHFFFAOYSA-N
Molecular Formula C15H18O3
Exact Mass 246.126 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-Washington_State_Univ-BML80681
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1078343 eMolecules
    291264 PubChem
    60080087 NMRShiftDB
    SCHEMBL14029298 SureChEMBL
    5956-04-7 ACToR
    PD029274 ProbesDrugs
    CHEMBL1322934 ChEMBL
    MCULE-5162812783 Mcule
    The data in this table is sourced from UniChem at EBI.