ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000129
RECORD_TITLE: P-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$NAME: P-T-BUTYLCYCLOHEXYL ACETATE (TRANS)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: CC(=O)OC([H])(C1)CCC([H])(C1)C(C)(C)C
CH$IUPAC: InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11-
CH$LINK: INCHIKEY MBZRJSQZCBXRGK-XYPYZODXSA-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$SPLASH: splash10-0a59-9000000000-e765166eaf26521b1f04
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  14 1 10
  15 10.9 109
  27 11.9 119
  28 12.3 123
  29 24.3 243
  39 12.8 128
  40 2.5 25
  42 3.7 37
  43 68.1 681
  44 2.5 25
  51 1.3 13
  53 6.7 67
  54 8.4 84
  55 19.6 196
  56 27.4 274
  57 99.99 999
  58 4.7 47
  61 16.8 168
  65 1.8 18
  66 1.5 15
  67 39.3 393
  68 4 40
  69 7.3 73
  70 2 20
  77 2.3 23
  79 6.7 67
  80 27.3 273
  81 26.9 269
  82 41.1 411
  83 14.7 147
  84 1.8 18
  91 1.2 12
  93 1.1 11
  94 1.2 12
  95 4.9 49
  96 2.3 23
  97 1.7 17
  99 1.3 13
  111 1.1 11
  124 11.9 119
  125 1.2 12
  139 6.8 68
  140 1.3 13
  142 1.3 13
  143 1.4 14
  144 1.4 14
//