Dataset

Enoxolone; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00484 contains the MS2 mass spectrum of Enoxolone with the InChIkey MPDGHEJMBKOTSU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)
SMILES CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
InChI Key MPDGHEJMBKOTSU-UHFFFAOYSA-N
Molecular Formula C30H46O4
Exact Mass 470.340 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-BML00484
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1863561 ChEMBL
    HMDB0244828 Human Metabolome Database
    ZZZLLW CCDC
    1986714 eMolecules
    3230 PubChem
    PD055157 ProbesDrugs
    SCHEMBL25465 SureChEMBL
    1449-05-4 ACToR
    471-53-4 ACToR
    MCULE-3741444667 Mcule
    The data in this table is sourced from UniChem at EBI.