ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009310
RECORD_TITLE: 2-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$NAME: 2-TERT-BUTYLCYCLOHEXYL ACETATE
CH$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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-053r-9100000000-26a957dc95c0a08d76ad
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  43 5.7 57
  54 2.8 28
  56 4.5 45
  57 99.99 999
  58 4.5 45
  61 14.3 143
  67 18 180
  68 0.18 2
  69 1.6 16
  70 1.1 11
  80 22.5 225
  81 0.84 8
  82 98.1 981
  83 12.1 121
  95 3.3 33
  96 0.13 1
  99 2.3 23
  109 1.6 16
  110 1.6 16
  117 1.38 14
  118 1.5 15
  123 17 170
  124 2.1 21
  138 0.92 9
  139 1.7 17
  141 2.2 22
  142 3.9 39
  143 2.7 27
//