ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004725
RECORD_TITLE: 4-METHYLENECYCLOHEXYL 4-METHYL-3-PENTENYLKETONE; 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$NAME: 4-METHYLENECYCLOHEXYL 4-METHYL-3-PENTENYLKETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O
CH$EXACT_MASS: 206.16707
CH$SMILES: CC(C)=CCCC(=O)C(C1)CCC(=C)C1
CH$IUPAC: InChI=1S/C14H22O/c1-11(2)5-4-6-14(15)13-9-7-12(3)8-10-13/h5,13H,3-4,6-10H2,1-2H3
CH$LINK: INCHIKEY RUVQJUFOCKSEQX-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$SPLASH: splash10-052r-9710000000-72b1ba0dbd27a79fd917
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41 20.84 208
  43 13.15 132
  44 5.62 56
  53 4.94 49
  55 15.29 153
  65 3.53 35
  67 8.34 83
  69 21.33 213
  77 10.3 103
  79 15.58 156
  80 3.71 37
  81 14.19 142
  83 26.09 261
  91 9.8 98
  92 3.89 39
  93 13.31 133
  94 4.6 46
  95 9.85 99
  97 4.81 48
  105 6.48 65
  107 4.28 43
  121 27.45 275
  122 3.81 38
  136 4.23 42
  139 99.99 999
  140 9.96 100
  145 10.82 108
  163 10.48 105
  206 38.8 388
  207 5.49 55
//