ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009812
RECORD_TITLE: 2-CYCLOHEXYLCYCLOHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-CYCLOHEXYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O
CH$EXACT_MASS: 182.16707
CH$SMILES: OC(C2)C(CCC2)C(C1)CCCC1
CH$IUPAC: InChI=1S/C12H22O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-13H,1-9H2
CH$LINK: INCHIKEY YTWWBKKPWACPPB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2041414
AC$INSTRUMENT: JEOL JMS
AC$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$SPLASH: splash10-001i-9100000000-3e2df0205380e831faa7
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  27 4 40
  29 4.9 49
  39 5.4 54
  41 2.22 22
  42 2 20
  43 6.8 68
  44 1 10
  53 0.46 5
  54 10.5 105
  55 41.2 412
  56 3.3 33
  57 0.7 7
  66 2.8 28
  67 53.6 536
  68 13.1 131
  69 0.91 9
  70 3.3 33
  71 2.5 25
  77 2.1 21
  79 0.53 5
  80 14.2 142
  81 45.2 452
  82 99.99 999
  83 4.67 47
  84 3.9 39
  93 6.8 68
  94 10.4 104
  95 1.42 14
  96 30.6 306
  97 17.6 176
  98 6.5 65
  101 0.23 2
  107 7.5 75
  108 9.2 92
  109 10.1 101
  110 0.19 2
  121 12.7 127
  122 10.1 101
  123 3.6 36
  125 0.18 2
  135 11.1 111
  136 3.5 35
  149 3.6 36
  164 5.69 57
  165 7.7 77
//
