ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004630
RECORD_TITLE: 4-ISOPROPYLBICYCLO(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$NAME: 4-ISOPROPYLBICYCLO(3.2.2)NONA-3,6-DIEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O
CH$EXACT_MASS: 176.12012
CH$SMILES: CC(C)C(=C1)C(C2)C=CC(C2)C(=O)1
CH$IUPAC: InChI=1S/C12H16O/c1-8(2)11-7-12(13)10-5-3-9(11)4-6-10/h3,5,7-10H,4,6H2,1-2H3
CH$LINK: INCHIKEY WNDHRWVXEFLALM-UHFFFAOYSA-N
AC$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: splash10-001i-0900000000-9dfc5cd3250c0f46680e
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  55 2 20
  58 8 80
  83 1.1 11
  91 0.28 3
  92 3.9 39
  98 1.4 14
  104 2.2 22
  105 0.41 4
  115 5 50
  117 1.3 13
  118 2.2 22
  121 0.12 1
  132 14.1 141
  133 99.99 999
  134 5 50
  135 0.12 1
  143 27.7 277
  144 3.3 33
  158 11.1 111
  159 0.47 5
  161 1.9 19
  176 51 510
  177 5 50
//
