ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008962
RECORD_TITLE: TERT-BUTYLCYCLOHEXYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TERT-BUTYLCYCLOHEXYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-053r-9000000000-5100216c41146d7384ed
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  15 4.3 43
  27 7.8 78
  29 16.2 162
  39 0.8 8
  40 1.6 16
  41 32.9 329
  42 2.6 26
  43 5.65 57
  44 1.5 15
  53 4.4 44
  54 9.2 92
  55 1.27 13
  56 7.7 77
  57 99.99 999
  58 4.9 49
  59 0.12 1
  61 14.1 141
  65 1.3 13
  66 1.3 13
  67 4.05 41
  68 3.3 33
  69 7.1 71
  70 1.6 16
  71 0.14 1
  77 1.9 19
  79 3.4 34
  80 15.3 153
  81 1.76 18
  82 80.3 803
  83 12.3 123
  84 1.3 13
  85 0.13 1
  91 1.3 13
  93 1.1 11
  95 5 50
  96 0.17 2
  97 1.4 14
  98 1.3 13
  99 2.7 27
  109 0.16 2
  110 1.2 12
  117 8.7 87
  123 15.5 155
  124 0.17 2
  138 6.2 62
  139 1.4 14
  141 2.1 21
  142 0.2 2
  143 1.4 14
//