ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007351
RECORD_TITLE: 2-PROPENYL 3-PHENYL-2-PROPENOATE; EI-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 RMU-6M
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: splash10-0ue9-3900000000-ce5601cf216ab2ba71fc
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 3.85 39
  28 2.92 29
  29 1 10
  38 1.36 14
  39 10.29 103
  40 1.07 11
  41 12.43 124
  50 5.15 52
  51 15.93 159
  52 2.85 29
  62 1 10
  63 3.14 31
  69 2.79 28
  74 2.14 21
  75 2.89 29
  76 3.93 39
  77 33.01 330
  78 3.43 34
  91 4.93 49
  97 2.22 22
  101 1.28 13
  102 9.64 96
  103 49.72 497
  104 35.29 353
  105 3.64 36
  115 1.14 11
  116 1.43 14
  128 4.79 48
  129 7 70
  130 1.57 16
  131 99.99 999
  132 1.78 18
  142 4 40
  143 16.65 167
  144 2.57 26
  147 5.99 60
  148 1.71 17
  173 3.43 34
  188 22.57 226
  189 3.36 34
//
