ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008331
RECORD_TITLE: 1,4-CYCLOHEXANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: 1,4-CYCLOHEXANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: OC(C1)CCC(O)C1
CH$IUPAC: InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
CH$LINK: INCHIKEY VKONPUDBRVKQLM-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-60
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: splash10-0a4l-9000000000-55e709d246fc79acd05a
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  15 7.21 72
  19 1.81 18
  26 2.04 20
  27 21.85 219
  28 4.97 50
  29 36.93 369
  30 4.17 42
  31 31.63 316
  38 0.86 9
  39 19.89 199
  40 4.49 45
  41 41.59 416
  42 33.7 337
  43 31.46 315
  44 28.83 288
  45 8.13 81
  47 8.66 87
  51 1.73 17
  53 5.38 54
  54 63.32 633
  55 41.14 411
  56 12.02 120
  57 38.4 384
  58 99.99 999
  59 28.2 282
  60 2.57 26
  67 3.55 36
  68 3.2 32
  69 23.63 236
  70 21.52 215
  71 1.91 19
  73 0.49 5
  77 1.73 17
  79 5.87 59
  80 12.8 128
  81 4.14 41
  82 0.41 4
  83 13.64 136
  84 0.69 7
  97 7.06 71
  98 26.54 265
  99 1.93 19
  110 3.09 31
  116 0.69 7
//
