ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006897
RECORD_TITLE: CINNAMYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CINNAMYL ACETATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00kf-9700000000-b6077d3a33c63d2a1048
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  15 5.51 55
  27 3.61 36
  29 1.95 20
  38 1.1 11
  39 9.98 100
  42 1.72 17
  43 99.99 999
  44 2.25 23
  50 3.77 38
  51 12.19 122
  52 2.39 24
  53 1.21 12
  55 2.39 24
  57 1.92 19
  62 1.95 20
  63 5.36 54
  64 1.1 11
  65 4.37 44
  74 1.33 13
  75 1.86 19
  76 2.27 23
  77 15.32 153
  78 9.15 92
  79 4.82 48
  89 3.21 32
  91 13.91 139
  92 17.18 172
  93 1.08 11
  102 3.73 37
  103 6.8 68
  104 2.12 21
  105 21.94 219
  106 2.2 22
  114 1.02 10
  115 45.51 455
  116 22.26 223
  117 20.87 209
  118 1.69 17
  131 1.65 17
  133 15.01 150
  134 21.46 215
  135 1.77 18
  176 12.12 121
  177 1.37 14
//