ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006616
RECORD_TITLE: 4-TERT-BUTYLCYCLOHEXYL ACETATE(EQUATORIAL-AXIAL); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU 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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a59-9100000000-dde7da9021d27aa6e177
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  29 1 10
  41 3 30
  43 10.9 109
  54 0.39 4
  55 3.4 34
  56 33.4 334
  57 99.99 999
  58 0.46 5
  61 33.8 338
  67 31.7 317
  68 2.5 25
  69 0.25 3
  70 1.8 18
  80 51.2 512
  81 25.1 251
  82 6.45 65
  83 29.5 295
  84 2.7 27
  95 3.9 39
  96 0.32 3
  99 2.1 21
  109 1.3 13
  110 1.9 19
  117 0.32 3
  123 17.8 178
  124 3.1 31
  138 23.5 235
  139 0.39 4
  142 3.2 32
  143 5.8 58
//