ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004683
RECORD_TITLE: 2-(3-CYCLOHEXENYL)ETHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2-(3-CYCLOHEXENYL)ETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O
CH$EXACT_MASS: 126.10447
CH$SMILES: OCCC(C1)CC=CC1
CH$IUPAC: InChI=1S/C8H14O/c9-7-6-8-4-2-1-3-5-8/h1-2,8-9H,3-7H2
CH$LINK: INCHIKEY FELLSOCIMJMONP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60939584
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-005d-9000000000-6dae003548c772745e8b
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  42 32.33 323
  43 10 100
  44 3.71 37
  50 3.31 33
  51 8.56 86
  52 5.75 58
  53 12.88 129
  54 14.27 143
  55 26.14 261
  56 5.26 53
  57 12.67 127
  58 8.79 88
  63 1.64 16
  65 7.28 73
  66 6.65 67
  67 38.97 390
  68 11.22 112
  69 9.65 97
  70 46.89 469
  71 7.45 75
  77 28.48 285
  78 11.04 110
  79 76.75 768
  80 27.51 275
  81 10.65 107
  82 13.56 136
  83 27.81 278
  84 4.58 46
  91 22.28 223
  92 2.7 27
  93 55.86 559
  94 2.22 22
  95 6 60
  96 4.01 40
  97 23.24 232
  98 99.99 999
  99 7.51 75
  104 1.63 16
  105 2.18 22
  106 1.52 15
  107 4.29 43
  108 32.54 325
  109 3.34 33
  111 2.07 21
  124 2.13 21
  126 3 30
//
