ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005985
RECORD_TITLE: CINNAMYL ACETATE; 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$NAME: CINNAMYL ACETATE
CH$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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-014i-1900000000-52617b843d873998d28b
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  74 1.51 15
  77 6.43 64
  78 3.34 33
  79 3.08 31
  89 3.13 31
  90 1.02 10
  91 10.57 106
  92 12.13 121
  93 1.06 11
  102 2.82 28
  103 8.07 81
  104 2.41 24
  105 7.24 72
  113 1.54 15
  114 3.7 37
  115 99.99 999
  116 22.83 228
  117 24.8 248
  118 1.78 18
  131 2.19 22
  133 22.7 227
  134 17.73 177
  135 1.83 18
  176 13.5 135
  177 1.29 13
//