ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006487
RECORD_TITLE: CINNAMYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CINNAMYL PROPIONATE
CH$NAME: 3-PHENYLALLYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₂
CH$EXACT_MASS: 190.09938
CH$SMILES: CCC(=O)OCC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+
CH$LINK: INCHIKEY KGDJMNKPBUNHGY-RMKNXTFCSA-N
CH$LINK: COMPTOX DTXSID6047606

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$SPLASH: splash10-0aor-9500000000-3f85fb99d177d7222e46
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  26 1.37 14
  27 9.45 95
  28 1.69 17
  29 33.48 335
  39 6 60
  50 1.99 20
  51 7.09 71
  52 1.3 13
  55 1.62 16
  57 99.99 999
  58 2.84 28
  62 1.04 10
  63 3.47 35
  65 2.54 25
  75 1.22 12
  76 1.26 13
  77 9.4 94
  78 3.95 40
  79 2.47 25
  89 2.2 22
  91 10.68 107
  92 5.55 56
  102 2.4 24
  103 5.03 50
  104 1.32 13
  105 8.93 89
  115 35.96 360
  116 18.64 186
  117 25.9 259
  118 2.24 22
  131 1.3 13
  133 13.73 137
  134 9.91 99
  190 11.05 111
  191 1.29 13
//