ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008464
RECORD_TITLE: CINNAMALDEHYDE 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$NAME: CINNAMALDEHYDE DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CCOC(OCC)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3/b11-10+
CH$LINK: INCHIKEY VYKDEWVAUWARRX-ZHACJKMWSA-N
CH$LINK: COMPTOX DTXSID20885290

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$SPLASH: splash10-08ir-4900000000-5ff04ad641dee79e456b
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  15 1.88 19
  26 1.39 14
  27 17.18 172
  29 42.02 420
  30 1.1 11
  31 2.98 30
  39 3.37 34
  43 2.47 25
  45 1.78 18
  47 7.76 78
  50 2.54 25
  51 9.15 92
  52 2.52 25
  53 1.4 14
  55 34.97 350
  56 1.17 12
  63 3.77 38
  65 2.59 26
  74 1.31 13
  75 5.02 50
  76 2.83 28
  77 31.92 319
  78 15.97 160
  79 7.3 73
  88 1.55 16
  89 2.41 24
  91 16.11 161
  92 1.78 18
  101 1.14 11
  102 4.73 47
  103 31.28 313
  104 27.41 274
  105 37.68 377
  106 3.05 31
  107 7.75 78
  115 31.72 317
  116 3.98 40
  117 2.66 27
  118 4.42 44
  119 1.79 18
  121 1.3 13
  129 1.07 11
  131 30.32 303
  132 8.66 87
  133 62.88 629
  134 5.75 58
  135 31.08 311
  136 2.85 29
  160 2.46 25
  161 99.99 999
  162 13.04 130
  177 3.62 36
  178 1.46 15
  206 12.59 126
  207 1.52 15
//