ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009149
RECORD_TITLE: 4-ISOPROPYLCYCLOHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4-ISOPROPYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O
CH$EXACT_MASS: 142.13577
CH$SMILES: CC(C)C(C1)CCC(O)C1
CH$IUPAC: InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3
CH$LINK: INCHIKEY DKKRDMLKVSKFMJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047149
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$SPLASH: splash10-001i-9000000000-485acfe0bf3162c5c81f
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 13.51 135
  29 10.47 105
  31 3.81 38
  39 12.71 127
  40 1.22 12
  41 28.11 281
  42 3.78 38
  43 36.48 365
  44 6.96 70
  45 1.1 11
  51 1.03 10
  53 6.4 64
  54 7.62 76
  55 27.49 275
  56 5.68 57
  57 20.36 204
  58 2.19 22
  65 1.17 12
  66 6.12 61
  67 14.89 149
  68 5.33 53
  69 10.16 102
  70 3.78 38
  71 1.23 12
  77 1.13 11
  79 4.95 50
  80 14.15 142
  81 99.99 999
  82 25.56 256
  83 5.21 52
  84 1.59 16
  85 9.6 96
  95 4.24 42
  96 4.4 44
  98 2.08 21
  99 1.36 14
  109 13.55 136
  124 15.3 153
  125 1.22 12
//
