Dataset

Zeaxanthin; LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 40 V

This MassBank record with Accession MSBNK-MSSJ-MSJ00119 contains the MS2 mass spectrum of Zeaxanthin with the InChIkey JKQXZKUSFCKOGQ-QAYBQHTQSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
SMILES CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C
InChI Key JKQXZKUSFCKOGQ-QAYBQHTQSA-N
Molecular Formula C40H56O2
Exact Mass 568.428 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ00119
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MetadataPublished 2019-02-26
Related Molecule
  • (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11176 drugbank
    CHEBI:27547 chebi
    LMPR01070261 lipidmaps
    5X6 rcsb_pdb
    CHEMBL2359248 chembl
    19442 surechembl
    5280899 pubchem
    CV0IB81ORO fdasrs
    PD019624 probes_and_drugs
    1849 brenda
    5X6 - Ideal conformer pdbe
    HMDB0002789 hmdb
    Molport-003-850-876 molport
    The data in this table is sourced from UniChem at EBI.