ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008584
RECORD_TITLE: 1-VINYLCYCLOHEXANOL; 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$NAME: 1-VINYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O
CH$EXACT_MASS: 126.10447
CH$SMILES: C=CC(O)(C1)CCCC1
CH$IUPAC: InChI=1S/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2
CH$LINK: INCHIKEY ZXKHOVDDJMJXQP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30173019
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$SPLASH: splash10-001i-9000000000-6d0de085d89286a7a23f
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 1.17 12
  26 1.74 17
  27 22.11 221
  29 9.95 100
  31 2.29 23
  38 1 10
  39 17.13 171
  40 2.31 23
  41 19.71 197
  42 8.35 84
  43 14.51 145
  44 1.15 12
  50 1.21 12
  51 2.4 24
  52 1.51 15
  53 7.32 73
  54 2.11 21
  55 49.71 497
  56 3.9 39
  57 7.03 70
  58 2.69 27
  65 2.14 21
  67 5.91 59
  68 6.47 65
  69 6.32 63
  70 42.68 427
  71 7.22 72
  72 2.53 25
  77 2.34 23
  79 5.96 60
  80 1.4 14
  81 8.05 81
  82 5.52 55
  83 99.99 999
  84 12.97 130
  85 1.07 11
  91 1.29 13
  93 2.74 27
  95 1.02 10
  97 12.28 123
  98 13.88 139
  99 5.45 55
  108 1.82 18
  111 23.25 233
  112 1.47 15
  126 5.62 56
//
