ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002303
RECORD_TITLE: 2,6-DIMETHYLCYCLOHEXANONE; 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$NAME: 2,6-DIMETHYLCYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O
CH$EXACT_MASS: 126.10447
CH$SMILES: CC(C1)C(=O)C(C)CC1
CH$IUPAC: InChI=1S/C8H14O/c1-6-4-3-5-7(2)8(6)9/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY AILVYPLQKCQNJC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30863029
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$SPLASH: splash10-066u-9100000000-1d2cf5e5c955f0dcbb59
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  40 7.55 76
  42 72.66 727
  43 31.04 310
  44 26.7 267
  53 5.84 58
  54 5.11 51
  55 45.85 459
  56 87.62 876
  57 15.44 154
  58 32.89 329
  59 6.18 62
  67 6.96 70
  68 99.99 999
  69 96.15 962
  70 16.61 166
  83 11.98 120
  84 12.37 124
  97 10.52 105
  98 46 460
  111 6.14 61
  126 59.6 596
  127 5.26 53
//
