ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011517
RECORD_TITLE: 9,12-DIOXO-5,6,7,9,12,14,15,16-OCTAHYDRO-6,15-METHANOBENZO(A)NAPHTHO(2,3-F)CYCLODECENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 9,12-DIOXO-5,6,7,9,12,14,15,16-OCTAHYDRO-6,15-METHANOBENZO(A)NAPHTHO(2,3-F)CYCLODECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₀O₂
CH$EXACT_MASS: 328.14633
CH$SMILES: O=c(c1)c(=C3)c(=CCC(C2)C(C4)=C(Cc(c5)c(ccc5)4)C(C3)2)c(=O)c1
CH$IUPAC: InChI=1S/C23H20O2/c24-22-9-10-23(25)19-8-6-17-11-16(5-7-18(19)22)20-12-14-3-1-2-4-15(14)13-21(17)20/h1-4,7-10,16-17H,5-6,11-13H2/b18-7-,19-8+
CH$LINK: INCHIKEY CBSAELAQAVAWAU-CLLFQMGYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-1819000000-b289159270688f2fba6b
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  77 5.3 53
  91 9.7 97
  103 5.5 55
  104 11 110
  105 9.8 98
  115 11.9 119
  127 5.2 52
  128 14.3 143
  129 9.8 98
  141 8 80
  143 13.9 139
  186 12.2 122
  198 10.1 101
  212 11.5 115
  223 10.8 108
  328 99.99 999
  329 25 250
//