ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001811
RECORD_TITLE: CYCLOHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEXANOL
CH$NAME: CYCLOHEXYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O
CH$EXACT_MASS: 100.08882
CH$SMILES: OC(C1)CCCC1
CH$IUPAC: InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
CH$LINK: INCHIKEY HPXRVTGHNJAIIH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021894

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-9000000000-6f29b4ae6194ec13d2c2
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 8.91 89
  28 3.24 32
  29 9.88 99
  31 4.78 48
  39 9.96 100
  40 1.62 16
  41 20.65 207
  42 7.29 73
  43 10.12 101
  44 22.27 223
  45 3.24 32
  51 1.3 13
  53 3.16 32
  54 10.36 104
  55 9.39 94
  56 12.96 130
  57 99.99 999
  58 7.94 79
  67 24.94 249
  68 1.54 15
  69 1.78 18
  70 1.21 12
  71 13.12 131
  72 6.8 68
  79 1.3 13
  81 4.53 45
  82 46.96 470
  83 4.29 43
  99 1.05 11
  100 2.43 24
//