ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002534
RECORD_TITLE: CINNAMYL ACETATE; 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$NAME: CINNAMYL ACETATE
CH$NAME: 3-PHENYLALLYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₂
CH$EXACT_MASS: 176.08373
CH$SMILES: CC(=O)OCC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
CH$LINK: INCHIKEY WJSDHUCWMSHDCR-VMPITWQZSA-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$SPLASH: splash10-00kf-9800000000-d9811f6026ea45b0908f
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 6.59 66
  27 3.93 39
  28 3.62 36
  29 1.31 13
  38 1.18 12
  39 8.84 88
  43 99.99 999
  44 2.3 23
  50 3.99 40
  51 10.54 105
  52 2.49 25
  55 3.07 31
  62 1.7 17
  63 5.48 55
  64 1.02 10
  65 4.54 45
  74 1.55 16
  75 1.81 18
  76 1.94 19
  77 13.96 140
  78 8.29 83
  79 5.46 55
  89 3.33 33
  91 12.78 128
  92 21.04 210
  93 1.65 17
  102 3.28 33
  103 6.93 69
  104 2.57 26
  105 26.24 262
  106 3.07 31
  114 1.52 15
  115 45.68 457
  116 27.42 274
  117 24.65 247
  118 2.6 26
  131 2.1 21
  133 21.59 216
  134 31.17 312
  135 2.81 28
  176 24.04 240
  177 3.1 31
//