ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008393
RECORD_TITLE: AMYL CINNAMYL ACETATE; 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$NAME: AMYL CINNAMYL ACETATE
CH$NAME: ALPHA-PENTYLCINNAMYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₂O₂
CH$EXACT_MASS: 246.16198
CH$SMILES: CCCCCC(OC(C)=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C16H22O2/c1-3-4-6-11-16(18-14(2)17)13-12-15-9-7-5-8-10-15/h5,7-10,12-13,16H,3-4,6,11H2,1-2H3/b13-12+
CH$LINK: INCHIKEY PHOQNPPEIYLGSI-OUKQBFOZSA-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$SPLASH: splash10-002f-4900000000-f71832a0ba547d114c5a
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  15 2.92 29
  27 8.02 80
  28 3.42 34
  29 16.93 169
  39 6.77 68
  41 17.99 180
  42 1.89 19
  43 87.27 873
  44 2.25 23
  51 3.94 39
  52 1.49 15
  53 2.69 27
  55 7.56 76
  57 2.55 26
  61 1.17 12
  63 2.78 28
  64 1.46 15
  65 4.76 48
  67 2.59 26
  69 2.06 21
  71 1.69 17
  77 6.9 69
  78 4.55 46
  79 3.05 31
  81 1.21 12
  89 2.79 28
  91 48.73 487
  92 6.99 70
  93 1.06 11
  95 5.61 56
  99 2.55 26
  102 2.76 28
  103 3.56 36
  104 6.91 69
  105 7.41 74
  107 1.59 16
  113 1.35 14
  114 1.05 11
  115 35.9 359
  116 17.46 175
  117 24.64 246
  118 2.99 30
  120 1.03 10
  127 7.76 78
  128 32.97 330
  129 99.99 999
  130 80.9 809
  131 17.36 174
  132 1.9 19
  133 14.01 140
  134 2.72 27
  141 3.8 38
  142 3.51 35
  143 54.33 543
  144 16.13 161
  145 3.51 35
  147 6.58 66
  148 2.98 30
  157 5.12 51
  171 3.36 34
  185 1.77 18
  186 27.72 277
  187 4.7 47
  203 5.75 58
  204 8.33 83
  205 1.31 13
  246 3.44 34
//