Dataset

beta-Cryptoxathin-5',8'-epoxide; FAB-EBEB; MS2; m/z: 568.43; [M]+*

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000042 contains the MS2 mass spectrum of beta-Cryptoxathin-5',8'-epoxide with the InChIkey WEJIOGMJJWSQFC-UQPOSZEYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H56O2/c1-29(18-13-19-31(3)22-23-35-33(5)26-34(41)28-39(35,8)9)16-11-12-17-30(2)20-14-21-32(4)36-27-37-38(6,7)24-15-25-40(37,10)42-36/h11-14,16-23,27,34,36,41H,15,24-26,28H2,1-10H3/b12-11+,18-13+,20-14+,23-22+,29-16+,30-17+,31-19+,32-21+/t34-,36?,40-/m1/s1
SMILES CC(C=CC=C(C)C(C=3)OC(C32)(CCCC(C)(C)2)C)=CC=CC=C(C=CC=C(C)C=CC(=C(C)1)C(C)(C)CC(C1)O)C
InChI Key WEJIOGMJJWSQFC-UQPOSZEYSA-N
Molecular Formula C40H56O2
Exact Mass 568.428 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-CA000042
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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.