ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006566
RECORD_TITLE: 2-TERT-BUTYLCYCLOHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-TERT-BUTYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O
CH$EXACT_MASS: 156.15142
CH$SMILES: OC(C1)C(CCC1)C(C)(C)C
CH$IUPAC: InChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3
CH$LINK: INCHIKEY DLTWBMHADAJAAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4044799
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$SPLASH: splash10-053r-9000000000-979b72006bcfd5659775
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 1.13 11
  27 10.96 110
  29 21.75 218
  31 3.33 33
  39 12.18 122
  40 1.4 14
  41 42.96 430
  42 4.08 41
  43 14.62 146
  44 5.42 54
  45 1.22 12
  51 1.09 11
  53 6.22 62
  54 12.41 124
  55 20.44 204
  56 14.28 143
  57 99.99 999
  58 4.77 48
  59 2.47 25
  65 1.45 15
  66 1.01 10
  67 54.06 541
  68 4.1 41
  69 9.88 99
  70 5.16 52
  71 2.33 23
  75 1.07 11
  77 1.57 16
  79 2.98 30
  80 20.44 204
  81 30.04 300
  82 84.64 846
  83 18.64 186
  95 6.6 66
  96 1.09 11
  97 2.54 25
  98 1.34 13
  99 7.66 77
  100 2.5 25
  101 1.42 14
  123 10.04 100
  138 2.13 21
  141 1.73 17
//
