ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007179
RECORD_TITLE: ALPHA,ALPHA-DIMETHYL-BETA-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$NAME: ALPHA,ALPHA-DIMETHYL-BETA-PHENYLETHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀O₂
CH$EXACT_MASS: 220.14633
CH$SMILES: CC(C)C(=O)OC(C)(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H20O2/c1-11(2)13(15)16-14(3,4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
CH$LINK: INCHIKEY KOEHGIXXSWVEPT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1069324

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$SPLASH: splash10-006x-9200000000-faf3b543432255b60b39
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 8.07 81
  29 2.74 27
  31 1.36 14
  39 8.11 81
  40 1.02 10
  41 11.56 116
  42 2.02 20
  43 75.19 752
  44 2.2 22
  51 2.67 27
  53 1.14 11
  55 6.73 67
  59 14.89 149
  63 1.66 17
  65 8.81 88
  71 99.99 999
  72 3.39 34
  77 2.34 23
  78 1.9 19
  89 1.52 15
  91 49.53 495
  92 5.58 56
  103 1.12 11
  105 3.19 32
  115 3.51 35
  116 1.22 12
  117 11.62 116
  118 1.58 16
  129 6.09 61
  131 1.56 16
  132 44.24 442
  133 21.49 215
  134 1.8 18
  162 1.88 19
//