ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007177
RECORD_TITLE: ALPHA,ALPHA-DIMETHYLBENZYL 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$NAME: ALPHA,ALPHA-DIMETHYLBENZYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CC(C)C(=O)OC(C)(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3
CH$LINK: INCHIKEY LQOHUFIIIKBPQC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1064798

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$SPLASH: splash10-014l-9800000000-1f8955786d281417dab7
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 5.17 52
  28 1.88 19
  39 5.9 59
  41 19.34 193
  42 1.71 17
  43 30.97 310
  50 1.33 13
  51 4.82 48
  52 1.21 12
  63 1.21 12
  65 1.79 18
  71 14.27 143
  77 11.67 117
  78 4.07 41
  79 3.92 39
  91 29.85 299
  92 2.41 24
  102 1.01 10
  103 5.12 51
  104 1.54 15
  105 2.99 30
  115 1.72 17
  117 4.85 49
  118 6.47 65
  119 99.99 999
  120 10.36 104
  121 2.54 25
  135 1.32 13
  136 3.49 35
  206 3.26 33
//