ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002251
RECORD_TITLE: 2-(1,3-DIMETHYL-3-BUTENYL)CYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2-(1,3-DIMETHYL-3-BUTENYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O
CH$EXACT_MASS: 180.15142
CH$SMILES: CC(=C)CC(C)C(C1)C(=O)CCC1
CH$IUPAC: InChI=1S/C12H20O/c1-9(2)8-10(3)11-6-4-5-7-12(11)13/h10-11H,1,4-8H2,2-3H3
CH$LINK: INCHIKEY JNHRKKHWPNJMSO-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-06r2-4900000000-7e6214bf9210221be420
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  55 14.89 149
  67 9.57 96
  70 9.09 91
  79 7.09 71
  81 6.09 61
  82 8.02 80
  83 37.15 372
  91 9.46 95
  93 8.76 88
  97 8.02 80
  98 63.17 632
  105 67.68 677
  106 11.42 114
  107 8.57 86
  119 30.31 303
  120 27.65 277
  125 22.36 224
  133 13.38 134
  137 7.72 77
  145 7.06 71
  147 70.83 708
  148 9.02 90
  162 99.99 999
  163 11.9 119
  180 11.6 116
//