ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002899
RECORD_TITLE: 1,4-CYCLOHEXANEDIOL; 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$NAME: 1,4-CYCLOHEXANEDIOL
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-9000000000-d6352b1546d75badcd78
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 7.21 72
  26 2.04 20
  27 21.85 219
  28 4.97 50
  29 36.93 369
  30 4.17 42
  31 31.63 316
  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
  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
  79 5.87 59
  80 12.8 128
  81 4.14 41
  83 13.64 136
  97 7.06 71
  98 26.54 265
  110 3.09 31
//