ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008880
RECORD_TITLE: TRANS-1,2-CYCLOHEXANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-1,2-CYCLOHEXANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: OC(C1)C(O)CCC1
CH$IUPAC: InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
CH$LINK: INCHIKEY PFURGBBHAOXLIO-PHDIDXHHSA-N
CH$LINK: COMPTOX DTXSID7075347

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-05i3-9000000000-fb5f696297452fa045c1
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  14 1.99 20
  15 7.69 77
  19 2.95 30
  26 5.96 60
  27 40.42 404
  28 13.13 131
  29 41.83 418
  30 5.25 53
  31 22.36 224
  38 3.59 36
  39 33.57 336
  40 5.57 56
  41 36.58 366
  42 24.92 249
  43 29.79 298
  44 29.21 292
  45 5.96 60
  50 2.31 23
  51 3.52 35
  53 5.38 54
  54 6.6 66
  55 21.01 210
  56 8.97 90
  57 56.89 569
  58 3.97 40
  60 3.59 36
  67 5.7 57
  68 3.72 37
  69 22.17 222
  70 99.99 999
  71 6.66 67
  79 3.84 38
  80 9.03 90
  81 4.61 46
  83 33.18 332
  97 7.05 71
  98 30.62 306
  99 4.16 42
  116 8.33 83
//