ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008540
RECORD_TITLE: 2-TERT-BUTYLCYCLOHEXYL ACETATE; 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$NAME: 2-TERT-BUTYLCYCLOHEXYL ACETATE
CH$NAME: 2-(1,1-DIMETHYLETHYL)CYCLOHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: CC(=O)OC(C1)C(CCC1)C(C)(C)C
CH$IUPAC: InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3
CH$LINK: INCHIKEY FINOAUDUYKVGDS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3036105

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$SPLASH: splash10-0a5c-9000000000-bd6cda624657021ec943
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 2.73 27
  27 5.68 57
  28 2.03 20
  29 14.39 144
  39 7.68 77
  40 1.14 11
  41 31.22 312
  42 2.37 24
  43 62.48 625
  44 1.58 16
  53 4.7 47
  54 9.69 97
  55 12.94 129
  56 7.43 74
  57 99.99 999
  58 4.85 49
  61 14.35 144
  67 40.44 404
  68 2.42 24
  69 6.23 62
  70 1.87 19
  71 1.53 15
  77 1.56 16
  79 2.71 27
  80 12.85 129
  81 17.27 173
  82 78.8 788
  83 11.28 113
  95 4.25 43
  99 2.17 22
  117 5.11 51
  123 13.05 131
  124 1.12 11
  138 2.08 21
  141 1.49 15
  142 1.02 10
//