ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011516
RECORD_TITLE: 8,13-DIOXO-5,6,7,8,13,14,15,16-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$NAME: 8,13-DIOXO-5,6,7,8,13,14,15,16-OCTAHYDRO-6,15-METHANOBENZO(A)NAPHTHO(2,3-F)CYCLODECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₀O₂
CH$EXACT_MASS: 328.14633
CH$SMILES: O=C(C1)c(c5)c(ccc5)C(=O)CC(C2)C(C3)=C(Cc(c4)c(ccc4)3)C12
CH$IUPAC: InChI=1S/C23H20O2/c24-22-12-16-9-17(13-23(25)19-8-4-3-7-18(19)22)21-11-15-6-2-1-5-14(15)10-20(16)21/h1-8,16-17H,9-13H2
CH$LINK: INCHIKEY RTTXIRMJZDXRLK-UHFFFAOYSA-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$SPLASH: splash10-004i-0619000000-f77f8a30706a82a6544b
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  77 7 70
  91 6.5 65
  104 5.3 53
  105 6.4 64
  115 9.5 95
  128 11.1 111
  129 7 70
  141 6.6 66
  143 12.5 125
  165 6 60
  186 26.3 263
  187 6.2 62
  198 5.9 59
  223 15.2 152
  224 7.2 72
  311 1.7 17
  313 7.5 75
  314 1.7 17
  328 99.99 999
  329 25.7 257
  330 3.5 35
//