ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007171
RECORD_TITLE: 3,3,5-TRIMETHYLCYCLOHEXYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3,3,5-TRIMETHYLCYCLOHEXYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H24O2
CH$EXACT_MASS: 212.17763
CH$SMILES: CC(C)C(=O)OC(C1)CC(C)(C)CC(C)1
CH$IUPAC: InChI=1S/C13H24O2/c1-9(2)12(14)15-11-6-10(3)7-13(4,5)8-11/h9-11H,6-8H2,1-5H3
CH$LINK: INCHIKEY RXJFMOVDBZCVES-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80B
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: splash10-05tf-9300000000-348e538c4a34d627b48e
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 18.69 187
  28 2.44 24
  29 11.67 117
  39 12.05 121
  40 2.28 23
  41 57.95 580
  42 6.67 67
  43 80.93 809
  44 2.4 24
  53 5.58 56
  54 1.07 11
  55 29.66 297
  56 7.54 75
  57 16.15 162
  65 1.02 10
  67 13.36 134
  68 31.3 313
  69 99.99 999
  70 6.22 62
  71 28.62 286
  77 1.46 15
  79 1.88 19
  80 1.35 14
  81 14.63 146
  82 28.08 281
  83 34.7 347
  84 2.24 22
  85 1.03 10
  89 5.47 55
  91 1.06 11
  93 1.25 13
  95 17.96 180
  96 3.76 38
  109 84.2 842
  110 7.69 77
  123 1.42 14
  124 58.83 588
  125 29.39 294
  126 2.29 23
//
