Dataset

beta-Cryptoxathin-5,6,5',8'-diepoxide; FAB-EBEB; MS2; m/z: 584.42; [M]+*

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000044 contains the MS2 mass spectrum of beta-Cryptoxathin-5,6,5',8'-diepoxide with the InChIkey RXRDUVZIGPRFRB-BEAGFYTDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H56O3/c1-29(18-13-19-31(3)22-25-40-37(7,8)27-33(41)28-39(40,10)43-40)16-11-12-17-30(2)20-14-21-32(4)34-26-35-36(5,6)23-15-24-38(35,9)42-34/h11-14,16-22,25-26,33-34,41H,15,23-24,27-28H2,1-10H3/b12-11+,18-13+,20-14+,25-22+,29-16+,30-17+,31-19+,32-21+/t33-,34?,38+,39+,40-/m0/s1
SMILES CC(C=CC=C(C)C(C=4)OC(C43)(CCCC(C)(C)3)C)=CC=CC=C(C=CC=C(C=CC(O2)(C2(C)1)C(CC(C1)O)(C)C)C)C
InChI Key RXRDUVZIGPRFRB-BEAGFYTDSA-N
Molecular Formula C40H56O3
Exact Mass 584.423 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Kyoto_Univ-CA000044
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.