Dataset

4-Keto-deepoxyneoxanthin; FAB-EBEB; MS2; m/z: 598.40; [M]*+

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000119 contains the MS2 mass spectrum of 4-Keto-deepoxyneoxanthin with the InChIkey ZPTLDAKBBBVLKH-HRFXNPMVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H54O4/c1-28(17-13-19-30(3)21-23-34-32(5)37(43)35(42)27-38(34,6)7)15-11-12-16-29(2)18-14-20-31(4)22-24-36-39(8,9)25-33(41)26-40(36,10)44/h11-23,33,35,41-42,44H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,28-15+,29-16+,30-19+,31-20+/t24?,33-,35-,40+/m0/s1
SMILES CC(=C1C=CC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C=C(C(C)(O)2)C(C)(C)CC(C2)O)C)C(=O)C(O)CC1(C)C
InChI Key ZPTLDAKBBBVLKH-HRFXNPMVSA-N
Molecular Formula C40H54O4
Exact Mass 598.402 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-CA000119
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol24871(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    46210736 pubchem
    The data in this table is sourced from UniChem at EBI.