ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006564
RECORD_TITLE: CYCLOHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEXANOL
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-9000000000-f39d1dfb175a6355d672
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.29 13
  18 7.09 71
  26 1.07 11
  27 8.59 86
  28 2.68 27
  29 8.63 86
  31 4.96 50
  38 1.19 12
  39 10.16 102
  40 2.08 21
  41 20.35 204
  42 6.43 64
  43 8.97 90
  44 25.01 250
  45 3.7 37
  50 1.4 14
  51 1.88 19
  53 3.89 39
  54 8.26 83
  55 7.03 70
  56 10.2 102
  57 99.99 999
  58 7.79 78
  59 1.33 13
  67 21.14 211
  68 1.65 17
  71 11.05 111
  72 6.18 62
  79 1.49 15
  81 4.12 41
  82 51.66 517
  83 3.35 34
  85 1.12 11
  99 1.31 13
  100 3.16 32
//