Dataset

Nostoxanthin; FAB-EBEB; MS2; m/z: 600.42; [M]*+

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000155 contains the MS2 mass spectrum of Nostoxanthin with the InChIkey JVPASJUYZJKFHY-HWFHZMFDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H56O4/c1-27(17-13-19-29(3)21-23-33-31(5)25-35(41)37(43)39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)26-36(42)38(44)40(34,9)10/h11-24,35-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37+,38+/m1/s1
SMILES C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(C(C)(C)2)=C(C)CC(C(O)2)O)(C(C)(C)1)=C(C)CC(C(O)1)O
InChI Key JVPASJUYZJKFHY-HWFHZMFDSA-N
Molecular Formula C40H56O4
Exact Mass 600.418 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-CA000155
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,2R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R,5R)-4,5-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,3,5-trimethylcyclohex-4-ene-1,2-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:80421 chebi
    LMPR01070104 lipidmaps
    29513507 surechembl
    16061239 pubchem
    DTXSID601345687 comptox
    The data in this table is sourced from UniChem at EBI.