Dataset

Anhydrolutein-II; FAB-EBEB; MS2; m/z: 550.42; [M]+*

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000071 contains the MS2 mass spectrum of Anhydrolutein-II with the InChIkey HBHHQQIZEXNSHZ-NHWXEJKLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-27,36-37,41H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1
SMILES C(=CC=CC=C(C=CC=C(C)C=CC(=C(C)2)C(C)(C)CC(C2)O)C)(C)C=CC=C(C=CC(C(C)(C)1)C(C)=CC=C1)C
InChI Key HBHHQQIZEXNSHZ-NHWXEJKLSA-N
Molecular Formula C40H54O
Exact Mass 550.417 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-CA000071
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S)-2,6,6-trimethylcyclohexa-2,4-dien-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    LMPR01070895 lipidmaps
    10029508 surechembl
    11786162 pubchem
    The data in this table is sourced from UniChem at EBI.