ACCESSION: MSBNK-Kyoto_Univ-CA000112
RECORD_TITLE: Canthaxanthin; EI-EBEB; MS; POS
DATE: 2016.01.19 (Created 2007.10.06, modified 2011.05.10)
AUTHORS: Akimoto N, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
LICENSE: CC BY-SA
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000112.jpg

CH$NAME: Canthaxanthin
CH$COMPOUND_CLASS: Natural Product; Carotenoid
CH$FORMULA: C₄₀H₅₂O₂
CH$EXACT_MASS: 564.39673
CH$SMILES: C(C(C)=1)(=O)CCC(C(C=CC(C)=CC=CC(=CC=CC=C(C)C=CC=C(C=CC(=C2C)C(CCC2=O)(C)C)C)C)1)(C)C
CH$IUPAC: InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
CH$LINK: CHEMSPIDER 4444639
CH$LINK: KEGG C08583
CH$LINK: PUBCHEM CID:5281227
CH$LINK: INCHIKEY FDSDTBUPSURDBL-DKLMTRRASA-N
CH$LINK: COMPTOX DTXSID0022727

AC$INSTRUMENT: JMS-HX/HX 110A, JEOL
AC$INSTRUMENT_TYPE: EI-EBEB
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION EI
AC$MASS_SPECTROMETRY: PROBE_TIP stainless-steel

MS$FOCUSED_ION: BASE_PEAK 564.0000

PK$SPLASH: splash10-03xr-1951160000-b97b0bcc75f22f78f140
PK$NUM_PEAK: 212
PK$PEAK: m/z int. rel.int.
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//