Dataset

14,15-Epoxysclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA01505 contains the MS2 mass spectrum of 14,15-Epoxysclareol with the InChIkey SSSOHKBYCPCHHD-FMSLRJNNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H36O3/c1-17(2)9-6-10-18(3)14(17)7-11-19(4,21)15(18)8-12-20(5,22)16-13-23-16/h14-16,21-22H,6-13H2,1-5H3/t14-,15+,16?,18-,19+,20-/m0/s1
SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@](C)(O)C1CO1
InChI Key SSSOHKBYCPCHHD-FMSLRJNNSA-N
Molecular Formula C20H36O3
Exact Mass 324.508 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-RIKEN_NPDepo-NGA01505
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Author
Maintainer
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MetadataPublished 2018-04-04
Related Molecule
  • (1R,2R,4aS,8aS)-1-[(3S)-3-hydroxy-3-(oxiran-2-yl)butyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15825565 pubchem
    Molport-002-512-095 molport
    The data in this table is sourced from UniChem at EBI.