ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007080
RECORD_TITLE: CINNAMYL ISOVALERATE; 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$NAME: CINNAMYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₂
CH$EXACT_MASS: 218.13068
CH$SMILES: CC(C)CC(=O)OCC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+
CH$LINK: CAS 140-27-2
CH$LINK: INCHIKEY FOCMOGKCPPTERB-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$SPLASH: splash10-05n0-9300000000-e5ffc7977091a2b810ad
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 9.11 91
  29 11.65 117
  39 14.24 142
  41 24.4 244
  42 3.62 36
  43 11.08 111
  50 2.04 20
  51 5.84 58
  52 1.56 16
  55 2.62 26
  57 90.9 909
  58 3.56 36
  59 1.13 11
  63 3.19 32
  65 3.66 37
  69 1.12 11
  75 1 10
  76 1.36 14
  77 9.58 96
  78 3.94 39
  79 2.05 21
  85 99.99 999
  86 4.57 46
  89 2.76 28
  91 16.54 165
  92 3.49 35
  102 2.49 25
  103 4.04 40
  104 2.66 27
  105 3.79 38
  115 38.1 381
  116 18.23 182
  117 47.13 471
  118 4.33 43
  131 1.07 11
  133 5.88 59
  134 4.32 43
  218 6.67 67
  219 1.2 12
//