Dataset

Peridininol furanoxide; FAB-EBEB; MS2; m/z: 588.35; [M]+*

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000093 contains the MS2 mass spectrum of Peridininol furanoxide with the InChIkey RWIFCBRKLSVYBB-VTZPPSHPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C37H48O6/c1-24(15-16-31-34(3,4)20-26(38)22-36(31,7)41)13-11-9-10-12-14-25(2)17-28-18-29(33(40)42-28)30-19-32-35(5,6)21-27(39)23-37(32,8)43-30/h9-15,17-19,26-27,30,38-39,41H,20-23H2,1-8H3/b11-9+,12-10+,24-13+,25-14+,28-17-/t16?,26-,27-,30?,36+,37+/m0/s1
SMILES C/C(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=O)O1)C2C=C3[C@](O2)(C[C@H](CC3(C)C)O)C)/C=C=C4[C@](C[C@H](CC4(C)C)O)(C)O
InChI Key RWIFCBRKLSVYBB-VTZPPSHPSA-N
Molecular Formula C37H48O6
Exact Mass 588.345 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-Kyoto_Univ-CA000093
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol24640(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101776196 pubchem
    The data in this table is sourced from UniChem at EBI.