ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005759
RECORD_TITLE: 2-PROPYLCYCLOHEXANOL; 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$NAME: 2-PROPYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O
CH$EXACT_MASS: 142.13577
CH$SMILES: CCCC(C1)C(O)CCC1
CH$IUPAC: InChI=1S/C9H18O/c1-2-5-8-6-3-4-7-9(8)10/h8-10H,2-7H2,1H3
CH$LINK: INCHIKEY VZBNUCDUQJCIDP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40920238
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-05o1-9000000000-1638aa2a694cfe643651
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  38 0.81 8
  39 29.6 296
  40 4.27 43
  41 61.96 620
  42 11.61 116
  43 30.11 301
  44 25.77 258
  45 6.63 66
  50 0.65 7
  51 2.69 27
  52 1.57 16
  53 12.14 121
  54 24.49 245
  55 50.55 506
  56 13.19 132
  57 73.31 733
  58 9.64 96
  59 1.52 15
  65 2.39 24
  66 10.07 101
  67 46.29 463
  68 46.44 464
  69 24.34 243
  70 10.33 103
  71 21.74 217
  72 3.57 36
  73 1.22 12
  77 2.54 25
  78 0.61 6
  79 5.39 54
  80 3.54 35
  81 47.19 472
  82 99.99 999
  83 13.3 133
  84 1.32 13
  85 5.15 52
  86 0.66 7
  91 0.54 5
  93 0.94 9
  94 1.51 15
  95 40.47 405
  96 34.07 341
  97 3.04 30
  98 3.43 34
  99 13.79 138
  100 1.83 18
  109 4.99 50
  110 0.53 5
  111 0.82 8
  113 2.8 28
  114 0.76 8
  123 0.62 6
  124 30.64 306
  125 4.46 45
  141 0.71 7
  142 0.99 10
//
