ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005535
RECORD_TITLE: 1,3-DIMETHYL-4,6-DIPHENYL-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-DIMETHYL-4,6-DIPHENYL-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₈O₂
CH$EXACT_MASS: 290.13068
CH$SMILES: c(c4)ccc(c4)C(=C(C)2)C(=O)C(c(c3)cccc3)(C1)C(C)(O2)1
CH$IUPAC: InChI=1S/C20H18O2/c1-14-17(15-9-5-3-6-10-15)18(21)20(13-19(20,2)22-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
CH$LINK: INCHIKEY YVOMXSLUOQIDON-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMS-4
AC$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$SPLASH: splash10-0f6x-7920000000-9add140a58a021cc1c0b
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  27 8.5 85
  28 9 90
  29 3 30
  31 2 20
  32 3 30
  39 7 70
  40 2 20
  41 5 50
  42 2.5 25
  43 99.99 999
  44 4 40
  45 2 20
  50 3 30
  51 8 80
  52 3 30
  53 3 30
  55 37 370
  56 3 30
  57 3 30
  62 2 20
  63 5.5 55
  64 2.5 25
  65 5.5 55
  74 2 20
  75 2 20
  76 2.5 25
  77 21 210
  78 6 60
  88 2 20
  89 7 70
  90 5 50
  91 10.5 105
  92 2 20
  101 2 20
  102 5 50
  103 95.5 955
  104 8.5 85
  105 10.5 105
  114 2 20
  115 24 240
  116 9 90
  117 4.5 45
  118 4.5 45
  127 3.5 35
  128 5.5 55
  129 6.5 65
  130 4.5 45
  131 17.5 175
  132 3.5 35
  133 11.5 115
  134 4 40
  141 2.5 25
  142 2.5 25
  145 3 30
  146 2 20
  147 5 50
  148 2 20
  149 3 30
  158 2 20
  160 2 20
  161 66 660
  162 5.5 55
  170 3 30
  174 8.5 85
  175 5 50
  178 2.5 25
  179 2 20
  185 2 20
  187 2 20
  188 2 20
  189 2 20
  191 2 20
  202 3 30
  203 3.5 35
  204 4.5 45
  205 3 30
  215 2 20
  218 2 20
  219 4.5 45
  220 2 20
  230 2 20
  232 2 20
  233 3 30
  247 10 100
  248 10.5 105
  249 3 30
  261 3 30
  262 4.5 45
  263 2 20
  275 6 60
  276 2.5 25
  290 25 250
  291 7 70
  292 2 20
//