Dataset

Capsanthin; FAB-EBEB; MS2; m/z: 584.42; [M]+*

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000015 contains the MS2 mass spectrum of Capsanthin with the InChIkey VYIRVAXUEZSDNC-RDJLEWNRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1
SMILES C(=C(C=CC=C(C=CC(=O)C(C(C)(C)2)(C)CC(C2)O)C)C)C=CC=C(C=CC=C(C)C=CC(=C(C)1)C(C)(C)CC(C1)O)C
InChI Key VYIRVAXUEZSDNC-RDJLEWNRSA-N
Molecular Formula C40H56O3
Exact Mass 584.423 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-CA000015
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MetadataPublished 2016-01-19
Related Molecule
  • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:3375 chebi
    LMPR01070265 lipidmaps
    CHEMBL1519371 chembl
    117691 surechembl
    5281228 pubchem
    420NY1J57N fdasrs
    PD000527 probes_and_drugs
    35031 brenda
    DTXSID10905012 comptox
    Molport-003-665-925 molport
    The data in this table is sourced from UniChem at EBI.