ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008714
RECORD_TITLE: ALPHA-BUTYLCINNAMALDEHYDE; 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$NAME: ALPHA-BUTYLCINNAMALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O
CH$EXACT_MASS: 188.12012
CH$SMILES: CCCCC(C=O)=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10+
CH$LINK: INCHIKEY GFBCBQNBXRPRQD-JLHYYAGUSA-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$SPLASH: splash10-014r-4900000000-2a9aef18b1630a173707
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  27 19.78 198
  29 10.17 102
  39 21.2 212
  41 15.81 158
  42 2.4 24
  43 5.18 52
  50 4.86 49
  51 14.55 146
  52 3.85 39
  53 6.02 60
  54 1.38 14
  55 5.61 56
  62 1.84 18
  63 10.03 100
  64 2.32 23
  65 12.06 121
  66 1.15 12
  67 4.42 44
  68 1.07 11
  69 2 20
  71 1.48 15
  74 2.63 26
  75 3.95 40
  76 3.64 36
  77 17.58 176
  78 13.48 135
  79 4.38 44
  81 3.4 34
  87 1.42 14
  89 9.06 91
  90 1.1 11
  91 75.68 757
  92 7.24 72
  95 4.68 47
  97 7.8 78
  101 1.54 15
  102 7.47 75
  103 8.22 82
  104 9.96 100
  105 5.46 55
  110 1.65 17
  113 1.49 15
  114 1.82 18
  115 82.28 823
  116 30.38 304
  117 99.99 999
  118 16.53 165
  119 2.35 24
  127 8.83 88
  128 15.88 159
  129 76.84 768
  130 10.35 104
  131 36.64 366
  132 6.64 66
  133 2.02 20
  141 13.43 134
  142 3.04 30
  143 1.26 13
  144 2.74 27
  145 39.02 390
  146 8.11 81
  147 1.18 12
  155 3.64 36
  157 5.33 53
  158 2.66 27
  159 7.58 76
  160 2.78 28
  173 2.82 28
  187 34.11 341
  188 57.86 579
  189 7.65 77
//