ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007176
RECORD_TITLE: CINNAMYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CINNAMYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₂
CH$EXACT_MASS: 204.11503
CH$SMILES: CC(C)C(=O)OCC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+
CH$LINK: INCHIKEY KLKQSZIWHVEARN-RMKNXTFCSA-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$SPLASH: splash10-00r6-9400000000-2d4b635b4cb06ed1182c
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 12.45 125
  28 1.38 14
  39 11.61 116
  40 1.08 11
  41 12.41 124
  42 1.5 15
  43 99.99 999
  44 2.64 26
  50 1.94 19
  51 6.98 70
  52 1.7 17
  55 1.85 19
  57 1.43 14
  63 3.64 36
  65 3.72 37
  70 1.7 17
  71 84.13 841
  72 2.85 29
  75 1.1 11
  76 1.06 11
  77 9.75 98
  78 3.96 40
  79 2.22 22
  89 2.59 26
  91 14.53 145
  92 3.77 38
  102 2.87 29
  103 3.75 38
  104 1.39 14
  105 5.95 60
  115 40.52 405
  116 18.46 185
  117 51.16 512
  118 4.21 42
  131 1.2 12
  133 8.4 84
  134 2.65 27
  204 11.46 115
  205 1.43 14
//