Dataset

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

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000105 contains the MS2 mass spectrum of Violaxanthin with the InChIkey SZCBXWMUOPQSOX-WVJDLNGLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1
SMILES O(C(C)21)C1(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC(O4)(C4(C)3)C(CC(C3)O)(C)C)C)C)C)C)C(CC(C2)O)(C)C
InChI Key SZCBXWMUOPQSOX-WVJDLNGLSA-N
Molecular Formula C40H56O4
Exact Mass 600.418 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-CA000105
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB03460 drugbank
    CHEBI:35288 chebi
    LMPR01070282 lipidmaps
    XAT rcsb_pdb
    97720 surechembl
    448438 pubchem
    51C926029A fdasrs
    PD016204 probes_and_drugs
    125435 brenda
    3412 brenda
    XAT pdbe
    HMDB0003101 hmdb
    DTXSID901016934 comptox
    Molport-049-241-400 molport
    The data in this table is sourced from UniChem at EBI.