Dataset

SELIN-11-EN-4ALPHA-OL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010677 contains the MS mass spectrum of SELIN-11-EN-4ALPHA-OL with the InChIkey DPQYOKVMVCQHMY-KBUPBQIOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15-/m1/s1
SMILES CC(=C)C([H])(C1)CC([H])(C(C)(O)2)C(C)(CCC2)C1
InChI Key DPQYOKVMVCQHMY-KBUPBQIOSA-N
Molecular Formula C15H26O
Exact Mass 222.198 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP010677
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:01.294474
MetadataModified 2025-07-14T23:55:19.836689
MetadataPublished 2016-01-19
Related Molecule
  • (1R,4aR,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL505457 ChEMBL
    J13.960B Nikkaji
    HMDB0303104 Human Metabolome Database
    60024241 NMRShiftDB
    15560330 PubChem
    ZINC000012153414 ZINC
    SCHEMBL6513304 SureChEMBL
    The data in this table is sourced from UniChem at EBI.