ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004885
RECORD_TITLE: 7-BUTYL-6,6-DIMETHYLBICYCLO(3.3.0)OCT-7-EN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 7-BUTYL-6,6-DIMETHYLBICYCLO(3.3.0)OCT-7-EN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O
CH$EXACT_MASS: 206.16707
CH$SMILES: CCCCC(=C1)C(C)(C)C(C2)C(C(=O)C2)1
CH$IUPAC: InChI=1S/C14H22O/c1-4-5-6-10-9-11-12(14(10,2)3)7-8-13(11)15/h9,11-12H,4-8H2,1-3H3
CH$LINK: INCHIKEY HUGDHXKPFPCNKN-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-2910000000-560fb4c5612001325c92
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  40 5.8 58
  43 5.8 58
  55 5.8 58
  57 0.58 6
  69 19.7 197
  79 15.7 157
  91 7.8 78
  93 3.13 31
  94 11.9 119
  105 5.8 58
  106 5.8 58
  107 4.52 45
  108 99.99 999
  109 17.7 177
  110 5.8 58
  119 7.83 78
  120 5.8 58
  121 17.7 177
  135 13.6 136
  136 7.83 78
  145 5.8 58
  147 5.8 58
  149 23.5 235
  150 3.74 37
  151 11.9 119
  162 4 40
  163 19.7 197
  164 0.58 6
  169 5.8 58
  177 4 40
  178 5.8 58
  181 0.4 4
  191 7.8 78
  206 31.3 313
  207 5.8 58
//