ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008406
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$SPLASH: splash10-00di-9000000000-eb4d6b2fd757d8da5fb5
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 9.99 100
  28 1.18 12
  29 16.43 164
  31 1.88 19
  39 8 80
  40 1.14 11
  41 26.35 264
  42 4.17 42
  43 52.95 530
  44 5.79 58
  53 4.42 44
  54 6.89 69
  55 27.26 273
  56 3.09 31
  57 7.24 72
  67 35.19 352
  68 2.42 24
  69 8.13 81
  70 99.99 999
  71 68.03 680
  72 3.07 31
  77 1.31 13
  79 3.67 37
  80 14.5 145
  81 31.83 318
  82 17.14 171
  83 8.15 82
  95 6.06 61
  98 2.86 29
  99 7.65 77
  123 26.17 262
  124 2.24 22
  137 2.79 28
  141 2.44 24
//