ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007614
RECORD_TITLE: 4-TERT-BUTYLCYCLOHEXYL ACETATE(EQUATORIAL-AXIAL); 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$NAME: 4-TERT-BUTYLCYCLOHEXYL ACETATE(EQUATORIAL-AXIAL)
CH$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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-9200000000-0bd800ad29a4d8e43a70
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  41 1 10
  43 3.6 36
  54 1.3 13
  55 0.18 2
  56 41.8 418
  57 60.9 609
  58 4.3 43
  61 4.81 48
  62 1.4 14
  67 23.4 234
  68 2.1 21
  69 0.16 2
  70 2.1 21
  80 95.6 956
  81 24.7 247
  82 99.99 999
  83 48 480
  84 3.7 37
  94 1.4 14
  95 0.66 7
  96 4.4 44
  97 1.6 16
  99 3.8 38
  109 0.25 3
  110 4.2 42
  117 6.5 65
  123 25.7 257
  124 0.39 4
  138 42.9 429
  139 8.4 84
  141 1.5 15
  142 0.62 6
  143 11.7 117
  144 1.1 11
//