ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003596
RECORD_TITLE: 2-TERT-BUTYLCYCLOHEXANOL; 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$NAME: 2-TERT-BUTYLCYCLOHEXANOL
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a59-9000000000-ff097a0f035ced51ce70
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  27 5.6 56
  28 3 30
  29 13 130
  31 0.3 3
  39 6 60
  40 2.5 25
  41 26 260
  42 0.4 4
  43 11.5 115
  44 4 40
  45 3 30
  53 0.4 4
  54 13 130
  55 18.3 183
  56 15 150
  57 99.99 999
  58 4.1 41
  59 2.5 25
  66 3 30
  67 5.57 56
  68 5 50
  69 8 80
  70 8 80
  71 0.25 3
  77 4 40
  79 2 20
  80 18 180
  81 3.1 31
  82 87 870
  83 22.5 225
  84 3.5 35
  85 0.3 3
  95 6 60
  96 2.3 23
  97 5 50
  98 0.6 6
  99 10 100
  100 3 30
  101 2.9 29
  110 0.29 3
  123 12.5 125
  124 4.2 42
  138 2 20
  139 0.2 2
  141 3 30
//