Dataset

Lutein 5,6-epoxide; FAB-EBEB; MS2; m/z: 584.42; [M]+*

This MassBank record with Accession MSBNK-Kyoto_Univ-CA000068 contains the MS2 mass spectrum of Lutein 5,6-epoxide with the InChIkey DYUUPIKEWLHQGQ-FJOIUHRLSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-25,34-36,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39+,40-/m0/s1
SMILES	C(O)(C3)C=C(C)C(C3(C)C)C=CC(C)=CC=CC(=CC=CC=C(C=CC=C(C=CC(O2)(C2(C)1)C(CC(C1)O)(C)C)C)C)C
InChI Key	DYUUPIKEWLHQGQ-FJOIUHRLSA-N
Molecular Formula	C40H56O3
Exact Mass	584.423 g/mol

Data and Resources

Lutein 5,6-epoxideHTML

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Related Molecule ⌄

(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-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

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-CA000068
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-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
CHEBI:27448	chebi
LMPR01070275	lipidmaps
2347808	surechembl
5281244	pubchem
76V8XL7PHB	fdasrs
HMDB0041590	hmdb
DTXSID40415093	comptox
The data in this table is sourced from UniChem at EBI.