ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011528
RECORD_TITLE: 5,18,19-TRIOXO-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$NAME: 5,18,19-TRIOXO-5,6,7,8,15,16,17,18-OCTAHYDRO-7,16-METHANODINAPHTHO(2,3-A:2',3'-F)CYCLODECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₂₀O₃
CH$EXACT_MASS: 392.14124
CH$SMILES: c(c12)cccc1c(c(C3)c(CC(C4)C(C(Cc(c6)c(cc(c65)cccc5)4)3)=O)c2=O)=O
CH$IUPAC: InChI=1S/C27H20O3/c28-25-19-11-17-9-15-5-1-2-6-16(15)10-18(17)12-20(25)14-24-23(13-19)26(29)21-7-3-4-8-22(21)27(24)30/h1-10,19-20H,11-14H2
CH$LINK: INCHIKEY QHEPWXNPQUENGQ-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$SPLASH: splash10-052f-0915000000-6f41fd8a556d9b281d15
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  28 8.8 88
  115 8.6 86
  152 17.7 177
  153 18.3 183
  154 15.3 153
  155 46.3 463
  157 7 70
  165 23 230
  166 10.9 109
  167 13.3 133
  168 13.4 134
  178 27.2 272
  179 16.2 162
  181 5.8 58
  195 23.4 234
  196 8.9 89
  197 7 70
  198 11.4 114
  208 40 400
  209 10.1 101
  210 5.8 58
  364 23.8 238
  365 6.4 64
  392 99.99 999
  393 29.4 294
  394 4.9 49
//