ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007435
RECORD_TITLE: 2-PROPENYL 3-PHENYL-2-PROPENOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-PROPENYL 3-PHENYL-2-PROPENOATE
CH$NAME: CINNAMIC ACID ALLYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂O₂
CH$EXACT_MASS: 188.08373
CH$SMILES: C=CCOC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8+
CH$LINK: CAS 1866-31-5
CH$LINK: INCHIKEY KCMITHMNVLRGJU-CMDGGOBGSA-N

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-000i-0900000000-01371cb208144065d70a
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  77 0.73 7
  91 1.7 17
  102 0.84 8
  103 2.78 28
  104 3.68 37
  105 1.02 10
  111 2.68 27
  128 0.57 6
  129 1 10
  131 14.14 141
  132 1.46 15
  142 0.78 8
  143 11.27 113
  144 1.67 17
  145 0.66 7
  147 1.42 14
  173 0.66 7
  183 0.92 9
  188 8.91 89
  189 99.99 999
  190 13.22 132
  191 1.39 14
//