Dataset

1-ALPHA-2-ALPHA-EPOXY-3-OXO-5,6-DIHYDROALANTOLACTONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001189 contains the MS mass spectrum of 1-ALPHA-2-ALPHA-EPOXY-3-OXO-5,6-DIHYDROALANTOLACTONE with the InChIkey ILXNJGJFJRUHHW-SVWYSVCKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H18O4/c1-6-8-4-9-7(2)11(16)12-13(19-12)15(9,3)5-10(8)18-14(6)17/h7-10,12-13H,1,4-5H2,2-3H3/t7-,8-,9+,10-,12+,13+,15-/m1/s1
SMILES O=C(O1)C(=C)C([H])(C4)C([H])1CC(C)(C([H])43)C([H])(O2)C([H])(C(=O)C([H])(C)3)2
InChI Key ILXNJGJFJRUHHW-SVWYSVCKSA-N
Molecular Formula C15H18O4
Exact Mass 262.121 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-JP001189
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1S,3R,7R,9R,10R,12R,14R)-9,14-dimethyl-4-methylidene-6,11-dioxatetracyclo[7.5.0.03,7.010,12]tetradecane-5,13-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101320208 PubChem
    ZINC000238775940 ZINC
    70069352 NMRShiftDB
    J184.255B Nikkaji
    The data in this table is sourced from UniChem at EBI.