ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008718
RECORD_TITLE: ALPHA-HEXYLCINNAMALDEHYDE; 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$NAME: ALPHA-HEXYLCINNAMALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₀O
CH$EXACT_MASS: 216.15142
CH$SMILES: CCCCCCC(C=O)=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
CH$LINK: INCHIKEY GUUHFMWKWLOQMM-NTCAYCPXSA-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$SPLASH: splash10-014l-5910000000-b22a42c164a28ba714e4
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  16 1.61 16
  17 1.86 19
  27 21.72 217
  29 25.58 256
  39 25.17 252
  40 2.29 23
  41 33.89 339
  42 5.91 59
  43 27.18 272
  50 1.43 14
  51 13.02 130
  52 2.3 23
  53 7.13 71
  55 15.16 152
  57 4.53 45
  63 8.29 83
  65 13.4 134
  67 7.58 76
  69 4.55 46
  76 2.12 21
  77 19.55 196
  78 14.99 150
  79 4.88 49
  82 13.1 131
  83 11.66 117
  89 7.98 80
  91 96.95 970
  92 11.9 119
  95 7.63 76
  102 7.49 75
  103 9.56 96
  104 15.02 150
  105 9.63 96
  115 78.81 788
  116 35.62 356
  117 99.79 998
  118 19.23 192
  125 3.86 39
  127 9.42 94
  128 20.83 208
  129 99.99 999
  130 17.11 171
  131 42.25 423
  132 5.08 51
  133 2.41 24
  141 15.37 154
  142 5.22 52
  143 4.93 49
  145 52.56 526
  146 12.06 121
  155 5.78 58
  158 3.67 37
  159 14.85 149
  160 4.01 40
  173 15.92 159
  174 10.3 103
  185 1.79 18
  187 1.1 11
  215 24.93 249
  216 50.43 504
  217 8 80
//