ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004629
RECORD_TITLE: 4-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$NAME: 4-METHYLBICYCLO(3.2.2)NONA-3,6-DIEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O
CH$EXACT_MASS: 148.08882
CH$SMILES: CC(=C1)C(C2)C=CC(C2)C(=O)1
CH$IUPAC: InChI=1S/C10H12O/c1-7-6-10(11)9-4-2-8(7)3-5-9/h2,4,6,8-9H,3,5H2,1H3
CH$LINK: INCHIKEY PQVKSVQURJRKPY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90760106

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$SPLASH: splash10-000t-0900000000-e52906dec0b37e7ce2c0
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  69 3.4 34
  78 3.5 35
  80 3.2 32
  89 0.39 4
  90 9.2 92
  105 22.8 228
  106 12.9 129
  115 0.68 7
  119 5.1 51
  120 3.9 39
  129 3.8 38
  130 2.69 27
  131 3.5 35
  133 86.8 868
  134 7.4 74
  147 1.08 11
  148 99.99 999
  149 18 180
//