ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011520
RECORD_TITLE: 8,13,17-TRIOXO-5,6,7,8,13,14,15,16-OCTAHYDRO-6,15-METHANOBENZO(A)NAPHTO(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$NAME: 8,13,17-TRIOXO-5,6,7,8,13,14,15,16-OCTAHYDRO-6,15-METHANOBENZO(A)NAPHTO(2,3-F)CYCLODECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₁₈O₃
CH$EXACT_MASS: 342.12559
CH$SMILES: O=C(C1)c(c5)c(ccc5)C(=O)CC(C(=O)2)C(C3)=C(Cc(c4)c(ccc4)3)C12
CH$IUPAC: InChI=1S/C23H18O3/c24-21-11-19-17-9-13-5-1-2-6-14(13)10-18(17)20(23(19)26)12-22(25)16-8-4-3-7-15(16)21/h1-8,19-20H,9-12H2
CH$LINK: INCHIKEY JRBCXNDSSLTTMN-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$SPLASH: splash10-0006-0619000000-5345a73d193879638578
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  77 8.8 88
  104 7.6 76
  105 15.6 156
  115 14 140
  128 10 100
  129 8.9 89
  141 6.5 65
  145 7.8 78
  152 7 70
  158 14.6 146
  181 7.7 77
  186 17.1 171
  197 10.3 103
  198 12.6 126
  209 9.2 92
  210 11.1 111
  297 7.3 73
  314 42.7 427
  315 11 110
  342 99.99 999
  343 26.2 262
//