ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009908
RECORD_TITLE: 4,8,12-TRIMETHYL-3,7,11-TRIDECATRIENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4,8,12-TRIMETHYL-3,7,11-TRIDECATRIENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H26O
CH$EXACT_MASS: 234.19837
CH$SMILES: O=CCC=C(C)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C16H26O/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17/h8,10,12-13H,5-7,9,11H2,1-4H3/b15-10+,16-12+
CH$LINK: INCHIKEY HXNIVGFVIQFPHU-NCZFFCEISA-N
AC$INSTRUMENT: JEOL JMS-D-30
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: splash10-05o3-9300000000-79d37e75c65b0a247bc3
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  27 8.7 87
  29 9 90
  39 11 110
  41 52.5 525
  42 3.8 38
  43 12.8 128
  54 12 120
  55 15 150
  56 2.8 28
  57 5.6 56
  65 3.8 38
  67 15 150
  68 7.7 77
  69 99.99 999
  70 8.7 87
  71 19 190
  77 7 70
  79 8.6 86
  80 10.3 103
  81 59.7 597
  82 12.8 128
  83 7.5 75
  84 44.2 442
  85 5 50
  91 8.2 82
  92 3.7 37
  93 16.5 165
  94 9.3 93
  95 27 270
  96 10 100
  97 6 60
  105 7.8 78
  107 16.6 166
  108 6.6 66
  109 27.8 278
  110 6.8 68
  111 2 20
  119 4.5 45
  121 10.2 102
  122 5.3 53
  123 13 130
  124 3.9 39
  125 2.8 28
  127 1 10
  132 3 30
  133 10.7 107
  134 2.7 27
  135 8 80
  136 14.8 148
  137 10.8 108
  138 8.6 86
  139 2 20
  142 2.9 29
  149 5 50
  150 2.2 22
  151 3.8 38
  159 6.7 67
  177 8.5 85
  187 2.8 28
  202 3.8 38
  205 3.1 31
  220 4.5 45
//
