Dataset

3'-Epigobiusxanthin; FAB-EBEB; MS2; m/z: 582.41; [M]*+

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000117 contains the MS2 mass spectrum of 3'-Epigobiusxanthin with the InChIkey HBQMPUHSZHRZGF-WOOBQVQJSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-20,23-24,26,35-36,41-43H,25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t35-,36+,40+/m1/s1
SMILES C(C=C(C)C=CC=C(C#CC(=C2C)C(C)(C)CC(C2)O)C)=CC=C(C)C=CC=C(C)C=CC(O)(C1(C)C)C(=CC(O)C1)C
InChI Key HBQMPUHSZHRZGF-WOOBQVQJSA-N
Molecular Formula C40H54O3
Exact Mass 582.407 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-CA000117
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,4R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    46210738 pubchem
    DTXSID501355223 comptox
    The data in this table is sourced from UniChem at EBI.