Dataset

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

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000066 contains the MS2 mass spectrum of Loroxanthin with the InChIkey ODGGKCNQKSEQNL-CWBMHJDKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H56O3/c1-29(16-12-17-31(3)20-22-37-32(4)24-35(42)26-39(37,6)7)14-10-11-15-30(2)18-13-19-34(28-41)21-23-38-33(5)25-36(43)27-40(38,8)9/h10-24,35-37,41-43H,25-28H2,1-9H3/b11-10+,16-12+,18-13+,22-20+,23-21+,29-14+,30-15+,31-17+,34-19-/t35-,36+,37-/m0/s1
SMILES C(=CC(C)=CC=CC=C(C=CC=C(C)C=CC(C2(C)C)C(C)=CC(O)C2)C)C=C(C=CC(=C(C)1)C(C)(C)CC(O)C1)CO
InChI Key ODGGKCNQKSEQNL-CWBMHJDKSA-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-CA000066
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-7,12,16-trimethyloctadeca-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
    LMPR01070156 lipidmaps
    31637706 surechembl
    16061271 pubchem
    The data in this table is sourced from UniChem at EBI.