ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008465
RECORD_TITLE: ACETOPHENONE DIETHYL ACETAL; 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$NAME: ACETOPHENONE DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₂
CH$EXACT_MASS: 194.13068
CH$SMILES: CCOC(C)(OCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H18O2/c1-4-13-12(3,14-5-2)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
CH$LINK: INCHIKEY BWZAUXRKSMJLMH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40195747

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$SPLASH: splash10-0pdi-9800000000-1006af7fea3ac35f29e6
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 1.58 16
  26 2.44 24
  27 13.57 136
  29 10.55 106
  38 1.42 14
  39 7.53 75
  41 1.99 20
  42 2.73 27
  43 5.88 59
  50 7.67 77
  51 24.64 246
  52 4.22 42
  53 1.05 11
  62 2.15 22
  63 5.75 58
  64 1.45 15
  65 9 90
  74 3.51 35
  75 2.85 29
  76 4.4 44
  77 38.5 385
  78 47.25 473
  79 3.03 30
  89 2.35 24
  90 1.23 12
  91 29.68 297
  92 4.59 46
  101 1.08 11
  102 5.37 54
  103 16.85 169
  104 35.44 354
  105 99.99 999
  106 6.59 66
  120 20.22 202
  121 1.63 16
  133 1.76 18
  147 17.48 175
  148 26.74 267
  149 2.59 26
//