ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012101
RECORD_TITLE: 8,9-DIPHENYLTRICYCLO(5,2,1,0(2,6))DECA-4,8-DIEN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 8,9-DIPHENYLTRICYCLO(5,2,1,0(2,6))DECA-4,8-DIEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₁₈O
CH$EXACT_MASS: 298.13577
CH$SMILES: c(c5)ccc(c5)C(=C(c(c4)cccc4)2)C(C1)C(C=3)C(C(=O)C3)C12
CH$IUPAC: InChI=1S/C22H18O/c23-19-12-11-16-17-13-18(22(16)19)21(15-9-5-2-6-10-15)20(17)14-7-3-1-4-8-14/h1-12,16-18,22H,13H2
CH$LINK: INCHIKEY APNUTSSHCCOFPX-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-1290000000-2997b7e6bd1ae3cc1463
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  39 4.6 46
  51 5.6 56
  52 3.7 37
  53 2.5 25
  63 3.2 32
  65 2.9 29
  77 4.1 41
  81 3.8 38
  89 3 30
  91 6.1 61
  101 2.5 25
  113 2.4 24
  114 2.1 21
  115 11.5 115
  116 2.2 22
  126 3.2 32
  127 2 20
  139 3.3 33
  141 5.8 58
  152 3.5 35
  165 6.8 68
  178 5.2 52
  179 3.6 36
  189 5.3 53
  190 2.1 21
  191 5.8 58
  192 2.9 29
  202 19.5 195
  203 12.6 126
  204 2.8 28
  207 2.5 25
  213 2.1 21
  215 14.5 145
  216 7.2 72
  217 23.9 239
  218 99.99 999
  219 25.9 259
  220 3.5 35
  239 2.6 26
  255 2.7 27
  270 3.1 31
  297 3.3 33
  298 51.1 511
  299 15 150
  300 2.1 21
//