ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002375
RECORD_TITLE: 2-BENZYL-2-METHYLCYCLOHEXANONE; 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$NAME: 2-BENZYL-2-METHYLCYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O
CH$EXACT_MASS: 202.13577
CH$SMILES: c(c2)ccc(c2)CC(C)(C1)C(=O)CCC1
CH$IUPAC: InChI=1S/C14H18O/c1-14(10-6-5-9-13(14)15)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3
CH$LINK: INCHIKEY JHMRHFGOPQLVBP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80391049
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$SPLASH: splash10-0006-9310000000-e9984670fb1e5b012086
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  44 3.27 33
  51 3.4 34
  55 14.79 148
  65 7.55 76
  67 3.71 37
  77 4.09 41
  83 7.11 71
  91 99.99 999
  92 13.91 139
  105 3.65 37
  111 3.33 33
  115 3.84 38
  117 8.62 86
  118 2.95 30
  129 4.03 40
  131 4.59 46
  143 6.54 65
  145 3.71 37
  158 4.53 45
  159 9.82 98
  187 5.41 54
  202 23.36 234
  203 4.53 45
//
