ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007180
RECORD_TITLE: ALPHA,ALPHA-DIMETHYL-GAMMA-PHENYLETHYL 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$NAME: ALPHA,ALPHA-DIMETHYL-GAMMA-PHENYLETHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂O₂
CH$EXACT_MASS: 234.16198
CH$SMILES: CC(C)C(=O)OC(C)(C)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
CH$LINK: INCHIKEY WCEXWNUHYPYHDN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0064915

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$SPLASH: splash10-000x-9600000000-9768ee774beb04d68f95
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 8.89 89
  28 1.43 14
  29 1.65 17
  39 7.46 75
  41 16.02 160
  42 1.5 15
  43 42.53 425
  51 3.06 31
  53 1.2 12
  55 1.31 13
  56 4.32 43
  59 4.08 41
  63 1.52 15
  65 11.16 112
  68 1.93 19
  71 25.17 252
  77 4.27 43
  78 2.08 21
  79 2.21 22
  89 2.21 22
  90 1.17 12
  91 99.99 999
  92 8.39 84
  103 2.37 24
  104 2.63 26
  105 10.77 108
  115 1.6 16
  117 1.85 19
  129 1.52 15
  131 84.35 844
  132 8.7 87
  145 2 20
  146 53.49 535
  147 17.11 171
  148 1.4 14
//