ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007615
RECORD_TITLE: 4-TERT-BUTYLCYLOHEXYL ACETATE(EQUATORIAL-EQUATORIAL); 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$NAME: 4-TERT-BUTYLCYLOHEXYL ACETATE(EQUATORIAL-EQUATORIAL)
CH$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$LINK: INCHIKEY MBZRJSQZCBXRGK-PHIMTYICSA-N
CH$LINK: COMPTOX DTXSID70893643

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$SPLASH: splash10-053r-9100000000-77412f8c53bc812a5101
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  32 1.1 11
  41 2.3 23
  43 2.4 24
  54 0.15 2
  55 1.1 11
  56 29.6 296
  57 99.99 999
  58 0.46 5
  61 29.2 292
  62 1.3 13
  66 1.8 18
  67 2.34 23
  68 2.5 25
  69 1.1 11
  70 3 30
  80 6.62 66
  81 23.9 239
  82 82 820
  83 24 240
  84 0.3 3
  94 2.4 24
  95 7.1 71
  96 5.7 57
  97 0.13 1
  99 1.3 13
  110 1.8 18
  111 3.7 37
  118 0.32 3
  124 24 240
  125 3 30
  139 23.6 236
  140 0.44 4
  142 4.1 41
  143 5.2 52
  144 4.5 45
  211 1.1 11
//