ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008462
RECORD_TITLE: CINNAMALDEHYDE DIMETHYL 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$NAME: CINNAMALDEHYDE DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: COC(OC)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3/b9-8+
CH$LINK: INCHIKEY MBAOABFNWSOOLU-CMDGGOBGSA-N

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$SPLASH: splash10-0ftb-5900000000-1b75a7bd7c6dea7493d9
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  15 12.29 123
  27 2.92 29
  29 9.3 93
  30 1.24 12
  31 4.67 47
  38 1.25 13
  39 8.42 84
  41 2.33 23
  45 5.71 57
  47 3.81 38
  50 5.23 52
  51 18.26 183
  52 3.83 38
  53 1.45 15
  55 3.58 36
  59 10.96 110
  62 1.93 19
  63 6.36 64
  64 1.23 12
  65 3.19 32
  74 4.41 44
  75 14.94 149
  76 3.84 38
  77 32.29 323
  78 17.39 174
  79 1.86 19
  89 3.07 31
  91 29.85 299
  92 2.42 24
  101 4.43 44
  102 5.76 58
  103 31.12 311
  104 21.01 210
  105 9.48 95
  115 58.33 583
  116 5.88 59
  117 12.69 127
  118 8.23 82
  119 2.25 23
  121 36.46 365
  122 2.64 26
  131 29.08 291
  132 8.7 87
  146 1.81 18
  147 99.99 999
  148 11.13 111
  163 1.6 16
  177 3.8 38
  178 23.3 233
  179 2.44 24
//