MassBank Record: JP005262

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ALPHA-ACETYLCINNAMIC ACID ETHYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP005262
RECORD_TITLE: ALPHA-ACETYLCINNAMIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-ACETYLCINNAMIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14O3
CH$EXACT_MASS: 218.09429
CH$SMILES: CCOC(=O)C(C(C)=O)=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H14O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+
CH$LINK: INCHIKEY AYZGINZXVVKWKV-FMIVXFBMSA-N
CH$LINK: COMPTOX DTXSID70920524

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-4960000000-a7b69f2debb6df8c513e
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  29 21.9 219
  39 3.8 38
  43 60.8 608
  50 0.5 5
  51 11 110
  63 5 50
  75 6.2 62
  76 0.89 9
  77 20.7 207
  102 23.4 234
  103 32 320
  104 0.9 9
  107 18.6 186
  129 24.3 243
  131 61.9 619
  135 1.78 18
  144 14.5 145
  147 14.2 142
  159 2.8 28
  171 0.47 5
  173 32 320
  175 14.2 142
  189 15.1 151
  203 3.2 32
  217 80.1 801
  218 99.99 999
  219 13 130
//