ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004865
RECORD_TITLE: 1-ISOBUTYL-9-METHYLBICYCLO(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$NAME: 1-ISOBUTYL-9-METHYLBICYCLO(3.2.2)NONA-3,6-DIEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20O
CH$EXACT_MASS: 204.15142
CH$SMILES: CC(C)CC(C1)(C(=O)2)C([H])=C([H])C(C([H])=C([H])2)C(C)1
CH$IUPAC: InChI=1S/C14H20O/c1-10(2)8-14-7-6-12(11(3)9-14)4-5-13(14)15/h4-7,10-12H,8-9H2,1-3H3
CH$LINK: INCHIKEY RNYAORCVTYUGJU-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-1910000000-0d3c0c413d0fc2c9f63f
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  55 10.8 108
  57 12.5 125
  97 6.5 65
  106 0.6 6
  107 6.5 65
  120 15.1 151
  133 8.6 86
  134 1.29 13
  143 7.3 73
  145 8.6 86
  147 99.99 999
  148 7.24 72
  149 16.4 164
  160 5.6 56
  161 36.2 362
  162 0.82 8
  163 6.5 65
  176 6.4 64
  189 25 250
  204 4.96 50
  205 18.1 181
  206 12.1 121
//
