ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008542
RECORD_TITLE: 1,1-DIMETHYL-2-PHENYLETHYL ACETATE; 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$NAME: 1,1-DIMETHYL-2-PHENYLETHYL ACETATE
CH$NAME: DIMETHYL BENZYL CARBINYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(=O)OC(C)(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
CH$LINK: INCHIKEY FLUWAIIVLCVEKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3041877

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$SPLASH: splash10-0006-9200000000-c6be4e527c151768a762
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 2.37 24
  27 1.62 16
  29 1.63 16
  31 1.18 12
  39 5.44 54
  41 2.34 23
  43 99.99 999
  44 2.09 21
  51 2.51 25
  55 2.02 20
  59 23.9 239
  63 1.84 18
  65 7.84 78
  77 1.48 15
  78 1.03 10
  89 1.59 16
  91 27.14 271
  92 5.87 59
  101 7.84 78
  105 1.33 13
  115 2.36 24
  117 7.95 80
  132 22.32 223
  133 5.24 52
  134 4.18 42
  135 5.39 54
//