Dataset

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

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000040 contains the MS2 mass spectrum of beta-Cryptoxathin-5',6'-epoxide with the InChIkey LLQCIZOXARRMDO-HGTNRAFMSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H56O2/c1-30(18-13-20-32(3)22-23-36-34(5)28-35(41)29-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-27-40-38(8,9)25-15-26-39(40,10)42-40/h11-14,16-24,27,35,41H,15,25-26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,23-22+,27-24+,30-16+,31-17+,32-20+,33-21+/t35-,39-,40+/m1/s1
SMILES C(C(=CC=CC(C)=CC=CC=C(C=CC=C(C)C=CC(=C(C)3)C(C)(C)CC(C3)O)C)C)=CC(C21C)(C(CCC2)(C)C)O1
InChI Key LLQCIZOXARRMDO-HGTNRAFMSA-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-CA000040
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MetadataPublished 2016-01-19
Related Molecule
  • (1R)-3,5,5-trimethyl-4-[(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]cyclohex-3-en-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    LMPR01070712 lipidmaps
    21587177 pubchem
    The data in this table is sourced from UniChem at EBI.