Dataset

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

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000043 contains the MS2 mass spectrum of beta-Cryptoxathin-5,6,5',6'-diepoxide with the InChIkey ONQKWANDXQNLEJ-KPJLXDRMSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H56O3/c1-30(18-13-20-32(3)22-26-39-35(5,6)24-15-25-37(39,9)42-39)16-11-12-17-31(2)19-14-21-33(4)23-27-40-36(7,8)28-34(41)29-38(40,10)43-40/h11-14,16-23,26-27,34,41H,15,24-25,28-29H2,1-10H3/b12-11+,18-13+,19-14+,26-22+,27-23+,30-16+,31-17+,32-20+,33-21+/t34-,37+,38+,39-,40-/m0/s1
SMILES C(=C(C=CC=C(C=CC(O4)(C4(C)3)C(CC(C3)O)(C)C)C)C)C=CC=C(C=CC=C(C=CC(C21C)(C(CCC2)(C)C)O1)C)C
InChI Key ONQKWANDXQNLEJ-KPJLXDRMSA-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-CA000043
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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-[(1S,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-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
    No additional information available for this Dataset.