ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008543
RECORD_TITLE: 1,1-DIMETHYL-3-PHENYLPROPYL 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$NAME: 1,1-DIMETHYL-3-PHENYLPROPYL ACETATE
CH$NAME: DIMETHYL PHENYLETHYL CARBINYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CC(=O)OC(C)(C)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
CH$LINK: INCHIKEY ZXFNOEJFYLQUSB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6051518

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$SPLASH: splash10-000x-9600000000-3b359589af1982a1b9a8
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  15 3.77 38
  18 3.27 33
  27 4.4 44
  28 1.33 13
  29 2.38 24
  31 1.51 15
  39 9.06 91
  41 8.84 88
  42 1.31 13
  43 75.56 756
  44 1.53 15
  50 1.51 15
  51 6.22 62
  52 1.36 14
  53 1.59 16
  55 1.68 17
  56 2.45 25
  59 12.36 124
  63 2.63 26
  65 14.48 145
  66 1.04 10
  68 2.12 21
  77 9.05 91
  78 3.64 36
  79 3.35 34
  89 2.21 22
  91 70.05 701
  92 5.13 51
  101 1.62 16
  103 3.66 37
  104 4.15 42
  105 9.44 94
  115 2.24 22
  116 1.76 18
  117 2.27 23
  128 1.42 14
  129 2.47 25
  130 1.07 11
  131 99.99 999
  132 11.39 114
  145 2.27 23
  146 42.45 425
  147 6.27 63
  149 4.44 44
//