ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011526
RECORD_TITLE: 5,18-DIOXO-5,6,7,8,15,16,17,18-OCTAHYDRO-7,16-METHANODINAPHTHO(2,3-A: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$NAME: 5,18-DIOXO-5,6,7,8,15,16,17,18-OCTAHYDRO-7,16-METHANODINAPHTHO(2,3-A:2',3'-F)CYCLODECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₂₂O₂
CH$EXACT_MASS: 378.16198
CH$SMILES: c(c21)cccc(c(c(C4)c(CC(C3)Cc(c6)c(cc(c65)cccc5)CC34)c2=O)=O)1
CH$IUPAC: InChI=1S/C27H22O2/c28-26-22-7-3-4-8-23(22)27(29)25-13-17-9-16(12-24(25)26)10-20-14-18-5-1-2-6-19(18)15-21(20)11-17/h1-8,14-17H,9-13H2
CH$LINK: INCHIKEY MBRIKPCLDAAVBY-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$SPLASH: splash10-004i-0906000000-ad810ce4a5b026c57753
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  115 5.7 57
  141 5.6 56
  152 9.4 94
  153 7.9 79
  154 5.8 58
  155 24.9 249
  156 9 90
  165 13.2 132
  166 5.2 52
  178 14.2 142
  179 7.1 71
  186 17.6 176
  189 5.1 51
  191 6.3 63
  192 10.5 105
  193 24.6 246
  194 6 60
  195 5.4 54
  223 17.2 172
  378 99.99 999
  379 29.9 299
//