Dataset

beta-Cryptoxathin-5,6-epoxide; FAB-EBEB; MS2; m/z: 568.43; [M]+*

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000039 contains the MS2 mass spectrum of beta-Cryptoxathin-5,6-epoxide with the InChIkey CMOLUFWHADIFGS-VESOQFFVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-24-36-34(5)22-15-26-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)25-27-40-38(8,9)28-35(41)29-39(40,10)42-40/h11-14,16-21,23-25,27,35,41H,15,22,26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,24-23+,27-25+,30-16+,31-17+,32-20+,33-21+/t35-,39+,40-/m0/s1
SMILES C(=CC(=C(C)3)C(C)(C)CCC3)C(C)=CC=CC(=CC=CC=C(C=CC=C(C=CC(O2)(C2(C)1)C(CC(C1)O)(C)C)C)C)C
InChI Key CMOLUFWHADIFGS-VESOQFFVSA-N
Molecular Formula C40H56O2
Exact Mass 568.428 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-CA000039
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:91143 chebi
    LMPR01070711 lipidmaps
    23256985 pubchem
    DTXSID401231339 comptox
    The data in this table is sourced from UniChem at EBI.