ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009373
RECORD_TITLE: BENZO(C)NAPHTHO(2,3-H)BICYCLO(4.4.1)UNDECA-3,8-DIEN-11-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TASHIRO M, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BENZO(C)NAPHTHO(2,3-H)BICYCLO(4.4.1)UNDECA-3,8-DIEN-11-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₀O
CH$EXACT_MASS: 312.15142
CH$SMILES: c(c5)cc(C1)c(c5)CC(C2)C(=O)C1Cc(c3)c(cc(c4)c(ccc4)3)2
CH$IUPAC: InChI=1S/C23H20O/c24-23-21-11-17-7-3-4-8-18(17)12-22(23)14-20-10-16-6-2-1-5-15(16)9-19(20)13-21/h1-10,21-22H,11-14H2
CH$LINK: INCHIKEY MWOVBEVAEJDHFU-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$SPLASH: splash10-08fr-0905000000-ae2b2ce6c6b83d37b8e0
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  105 6.75 68
  115 7.39 74
  117 5.73 57
  128 6.64 66
  129 7.79 78
  141 6.71 67
  142 6.71 67
  152 8.85 89
  153 7.94 79
  154 14.44 144
  155 24.74 247
  156 13.62 136
  157 31.34 313
  165 14.23 142
  166 6.62 66
  167 10.14 101
  168 6.61 66
  170 5.92 59
  178 8.52 85
  179 8.81 88
  207 11.29 113
  312 99.99 999
  313 24.12 241
//