Dataset

7',8',9',10'-Tetrahydro-beta-cryptoxanthin; FAB-EBEB; MS2; m/z: 556.46; [M]+*

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000111 contains the MS2 mass spectrum of 7',8',9',10'-Tetrahydro-beta-cryptoxanthin with the InChIkey GMIFARVLXYYPTL-DIXBGOFRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H60O/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/h11-14,16-19,21,24,26,32,36,41H,15,20,22-23,25,27-29H2,1-10H3/b12-11+,18-13+,19-14+,26-24+,30-16+,31-17+,33-21+/t32?,36-/m1/s1
SMILES C(=CC=C(C)C=CC(=C(C)2)C(C)(C)CC(C2)O)C(C)=CC=CC=C(C)C=CCC(C)CCC(=C1C)C(CCC1)(C)C
InChI Key GMIFARVLXYYPTL-DIXBGOFRSA-N
Molecular Formula C40H60O
Exact Mass 556.464 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-CA000111
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MetadataPublished 2016-01-19
Related Molecule
  • (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.