ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005824
RECORD_TITLE: 2-PROPYLCYCLOHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001j-9100000000-fd9ecd879b3b362debe5
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  41 2.41 24
  42 1.31 13
  43 5.4 54
  44 3.37 34
  45 1.01 10
  54 6.21 62
  55 7.51 75
  56 5.36 54
  57 26.87 269
  58 2.87 29
  66 6.5 65
  67 22.67 227
  68 28.05 281
  69 11.18 112
  70 4.98 50
  71 13.57 136
  72 2.41 24
  79 1.24 12
  80 3.06 31
  81 36.23 362
  82 99.99 999
  83 12.14 121
  84 1 10
  85 4.23 42
  86 2.25 23
  94 1.52 15
  95 40.29 403
  96 33.29 333
  97 2.77 28
  98 2.81 28
  99 13.71 137
  100 2.34 23
  109 6.13 61
  113 2.85 29
  124 30.55 306
  125 4.43 44
  142 0.83 8
//
