ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006596
RECORD_TITLE: 2-CYCLOHEXYLCYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-CYCLOHEXYLCYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O
CH$EXACT_MASS: 180.15142
CH$SMILES: O=C(C2)C(CCC2)C(C1)CCCC1
CH$IUPAC: InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2
CH$LINK: INCHIKEY UOBQDYFTAJKQAL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047424

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0002-9000000000-caf6732bbdc0d266d824
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 7.45 75
  29 6.11 61
  39 9.76 98
  41 24 240
  42 3.67 37
  43 2.21 22
  53 4.62 46
  54 4.41 44
  55 15.24 152
  56 1.24 12
  65 1.48 15
  67 12.9 129
  68 2.55 26
  69 2.14 21
  70 13.59 136
  77 1.71 17
  79 3.62 36
  80 2.48 25
  81 8.45 85
  82 1.27 13
  83 11.55 116
  91 1.19 12
  95 2.3 23
  97 5.58 56
  98 99.99 999
  99 9.01 90
  109 1.33 13
  123 1.59 16
  137 1.43 14
//