ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002333
RECORD_TITLE: 6-ISOPROPYL-3-METHYL-2-METHYLENECYCLOHEXANONE; 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$NAME: 6-ISOPROPYL-3-METHYL-2-METHYLENECYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O
CH$EXACT_MASS: 166.13577
CH$SMILES: CC(C)C(C1)C(=O)C(=C)C(C)C1
CH$IUPAC: InChI=1S/C11H18O/c1-7(2)10-6-5-8(3)9(4)11(10)12/h7-8,10H,4-6H2,1-3H3
CH$LINK: INCHIKEY IRMRWAWQVBGNMC-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$SPLASH: splash10-05fr-9700000000-719c10d927fc370923c9
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  42 37.05 371
  53 16.68 167
  54 9.64 96
  55 32.72 327
  67 28.34 283
  68 16.24 162
  69 16.78 168
  77 7.77 78
  79 9.99 100
  81 26.27 263
  82 12.25 123
  83 9.64 96
  91 10.18 102
  93 6.93 69
  95 41.73 417
  96 13.13 131
  109 29.37 294
  110 10.23 102
  123 24.16 242
  124 99.99 999
  125 9.39 94
  151 25.68 257
  161 29.23 292
  162 7.08 71
  163 11.26 113
  166 15.15 152
//