ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008407
RECORD_TITLE: PARA-TERT-AMYLCYCLOHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PARA-TERT-AMYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCC(C)(C)C(C1)CCC(O)C1
CH$IUPAC: InChI=1S/C11H22O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9-10,12H,4-8H2,1-3H3
CH$LINK: INCHIKEY VDQZABQVXYELSI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9040716

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$SPLASH: splash10-00di-9100000000-2871edb850185b2567b2
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  27 12.24 122
  28 2.21 22
  29 19.71 197
  31 2.34 23
  39 9.76 98
  40 1.37 14
  41 32.23 322
  42 6.29 63
  43 70.26 703
  44 6.8 68
  53 6.55 66
  54 6 60
  55 35.83 358
  56 4.54 45
  57 8.56 86
  65 1.16 12
  67 38.92 389
  68 3.19 32
  69 9.7 97
  70 99.99 999
  71 85.62 856
  72 4.59 46
  77 1.37 14
  79 4.77 48
  80 8.84 88
  81 45.6 456
  82 13.43 134
  83 8.91 89
  93 1.08 11
  95 9.56 96
  96 1.55 16
  97 1.1 11
  99 7.85 79
  107 1.06 11
  109 1.22 12
  122 2.39 24
  123 46.5 465
  124 5.61 56
  137 4.94 49
  141 2.13 21
  152 8.49 85
//