ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007352
RECORD_TITLE: BENZYL 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$NAME: BENZYL 3-PHENYL-2-PROPENOATE
CH$NAME: CINNAMIC ACID BENZYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₄O₂
CH$EXACT_MASS: 238.09938
CH$SMILES: O=C(C=Cc(c2)cccc2)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
CH$LINK: CAS 103-41-3
CH$LINK: INCHIKEY NGHOLYJTSCBCGC-VAWYXSNFSA-N
CH$LINK: COMPTOX DTXSID00880905

AC$INSTRUMENT: ESCO EMD-05A
AC$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$SPLASH: splash10-0f6x-9600000000-c2f6e1fccb7fd1daee10
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  39 2.37 24
  40 5.59 56
  51 16.41 164
  52 19.07 191
  53 10.67 107
  62 2.56 26
  63 8.34 83
  64 3.51 35
  65 15.27 153
  66 2.27 23
  74 4.88 49
  75 3.98 40
  76 10.53 105
  77 51.7 517
  78 11.05 111
  79 6.78 68
  89 8.11 81
  90 6.38 64
  91 99.99 999
  92 6.49 65
  101 1.56 16
  102 14.89 149
  103 45.68 457
  104 11.62 116
  105 6.35 64
  107 4.45 45
  115 7.73 77
  116 2.98 30
  131 58.68 587
  132 6.92 69
  147 5.55 56
  178 3.03 30
  179 1.8 18
  192 25.18 252
  193 22.53 225
  194 3.79 38
  220 2.51 25
  238 16.79 168
  239 2.98 30
//