ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008566
RECORD_TITLE: 1-ETHYNYLCYCLOHEXANOL; 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$NAME: 1-ETHYNYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12O
CH$EXACT_MASS: 124.08882
CH$SMILES: C#CC(O)(C1)CCCC1
CH$IUPAC: InChI=1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2
CH$LINK: INCHIKEY QYLFHLNFIHBCPR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021757
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$SPLASH: splash10-00l2-9000000000-bf0c06da1e3bfab1c0ae
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  15 2.12 21
  26 3.88 39
  27 28.27 283
  28 9.67 97
  29 11.58 116
  31 2.19 22
  32 1.61 16
  37 1.18 12
  38 3.64 36
  39 44.97 450
  40 12.38 124
  41 29.07 291
  42 7.92 79
  43 10.79 108
  50 5.6 56
  51 12.17 122
  52 3.63 36
  53 40.38 404
  54 7.01 70
  55 26.09 261
  56 3.54 35
  57 2.31 23
  62 1.79 18
  63 3.64 36
  64 1.75 18
  65 4.81 48
  66 4.25 43
  67 20.34 203
  68 82.09 821
  69 10.52 105
  70 2.7 27
  77 6.21 62
  78 3.73 37
  79 5.22 52
  80 2.54 25
  81 99.99 999
  82 15.31 153
  83 4.31 43
  91 6.1 61
  93 1.56 16
  94 1.16 12
  95 68.93 689
  96 35.95 360
  97 4.01 40
  105 1.51 15
  109 21.94 219
  110 1.78 18
  123 7.67 77
//
