ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004627
RECORD_TITLE: 4-ISOPROPENYLBICYCLO(3.2.2)NONA-3,6-DIEN-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$NAME: 4-ISOPROPENYLBICYCLO(3.2.2)NONA-3,6-DIEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14O
CH$EXACT_MASS: 174.10447
CH$SMILES: CC(=C)C(=C1)C(C2)C=CC(C2)C(=O)1
CH$IUPAC: InChI=1S/C12H14O/c1-8(2)11-7-12(13)10-5-3-9(11)4-6-10/h3,5,7,9-10H,1,4,6H2,2H3
CH$LINK: INCHIKEY DWRKJEWDQFGLCV-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00e9-0900000000-82558f1eea0a16bed5f4
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  70 2.1 21
  78 2.7 27
  80 1.6 16
  81 0.14 1
  87 3.5 35
  92 9.7 97
  96 1.8 18
  105 0.88 9
  108 9 90
  118 24.6 246
  119 8.3 83
  120 0.55 6
  129 3.9 39
  130 45.8 458
  131 10.6 106
  132 0.49 5
  133 26.9 269
  134 6.2 62
  141 6.7 67
  145 4.43 44
  146 10.1 101
  148 6 60
  156 7.4 74
  157 0.28 3
  159 8.8 88
  160 2.7 27
  161 1.9 19
  173 1.93 19
  174 99.99 999
  175 6.9 69
//
