ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009159
RECORD_TITLE: CYCLOHEXANETHIOL; 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$NAME: CYCLOHEXANETHIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂S
CH$EXACT_MASS: 116.06597
CH$SMILES: SC(C1)CCCC1
CH$IUPAC: InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
CH$LINK: COMPTOX DTXSID2027416
CH$LINK: INCHIKEY CMKBCTPCXZNQKX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:15290

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$SPLASH: splash10-05o0-9000000000-80ad1bdf81528f9efd7a
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  26 1.47 15
  27 16.46 165
  28 3.07 31
  29 10.89 109
  33 1.91 19
  38 1.05 11
  39 24.01 240
  40 2.45 25
  41 55.49 555
  42 3.13 31
  43 3.45 35
  45 15.4 154
  46 1.53 15
  47 9.31 93
  50 1.49 15
  51 2.79 28
  52 1.37 14
  53 11.25 113
  54 28.63 286
  55 99.99 999
  56 4.79 48
  58 3.07 31
  59 6.74 67
  60 10.99 110
  61 3.04 30
  65 1.91 19
  66 1.35 14
  67 72.72 727
  68 4.38 44
  69 1.82 18
  71 1.96 20
  73 10.06 101
  74 1.41 14
  77 2.07 21
  79 4.52 45
  81 10.8 108
  82 62.27 623
  83 66.35 664
  84 3.42 34
  85 1.07 11
  87 1.49 15
  116 54.19 542
  117 3.74 37
  118 2.15 22
//