Dataset

SQUALENE HEXAEPOXIDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010102 contains the MS mass spectrum of SQUALENE HEXAEPOXIDE with the InChIkey PSNNHFRISFMCAD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C30H50O6/c1-25(2)19(31-25)11-15-29(7)23(35-29)13-17-27(5)21(33-27)9-10-22-28(6,34-22)18-14-24-30(8,36-24)16-12-20-26(3,4)32-20/h19-24H,9-18H2,1-8H3
SMILES CC(C)(O1)C1CCC(O2)(C)C2CCC(C(CCC(C(CCC(O5)C5(C)CCC(O6)C(C)(C)6)(C)4)O4)3)(C)O3
InChI Key PSNNHFRISFMCAD-UHFFFAOYSA-N
Molecular Formula C30H50O6
Exact Mass 506.361 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-JP010102
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-[2-[3-[2-[3-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxirane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    19105135 surechembl
    165790 pubchem
    DTXSID901347820 comptox
    The data in this table is sourced from UniChem at EBI.