ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000127
RECORD_TITLE: O-T-BUTYLCYCLOHEXYL ACETATE (TRANS); 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$NAME: O-T-BUTYLCYCLOHEXYL ACETATE (TRANS)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: CC(=O)OC([H])(C1)C([H])(CCC1)C(C)(C)C
CH$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/t10-,11-/m1/s1
CH$LINK: INCHIKEY FINOAUDUYKVGDS-GHMZBOCLSA-N

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$SPLASH: splash10-053u-9000000000-82b23afce5319647c48b
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  15 8.2 82
  27 9.2 92
  28 2.1 21
  29 17.8 178
  39 9.3 93
  40 1.8 18
  41 35.5 355
  42 3 30
  43 54.3 543
  44 1.7 17
  53 4.6 46
  54 11.6 116
  55 13.7 137
  56 10 100
  57 99.99 999
  58 4.5 45
  61 17.3 173
  65 1.3 13
  66 1.2 12
  67 47.5 475
  68 3 30
  69 6.5 65
  70 2.2 22
  71 1.5 15
  75 1.3 13
  79 3.4 34
  80 11.4 114
  81 19.1 191
  82 77.1 771
  83 13.9 139
  84 1.1 11
  93 6.5 65
  95 3.8 38
  96 1 10
  97 1.2 12
  99 2.5 25
  110 1 10
  117 7.9 79
  123 13.8 138
  124 1.5 15
  138 3.8 38
  139 1.5 15
  141 1.6 16
  142 1.9 19
  143 2.5 25
//