ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010157
RECORD_TITLE: 3,7,11-TRIMETHYL-(2,6Z,10E)-DODECATRIENE-1-CARBOXYLIC ACID ETHYL ESTER; 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$NAME: 3,7,11-TRIMETHYL-(2,6Z,10E)-DODECATRIENE-1-CARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H28O2
CH$EXACT_MASS: 264.20893
CH$SMILES: CCOC(=O)C=C(C)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C17H28O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h9,11,13H,6-8,10,12H2,1-5H3/b15-11-,16-13+
CH$LINK: INCHIKEY RAVLTUCAFRTDRY-GYPBQELOSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-06dl-9700000000-99956d3a92dd3e396887
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  27 7 70
  28 2 20
  29 19 190
  39 0.7 7
  41 59 590
  42 3 30
  43 13 130
  53 0.9 9
  54 3 30
  55 14 140
  57 3 30
  65 0.3 3
  67 13 130
  68 8 80
  69 99.99 999
  70 0.7 7
  71 3 30
  77 5 50
  79 13 130
  80 0.5 5
  81 32 320
  82 14 140
  83 8 80
  85 0.3 3
  91 13 130
  92 3 30
  93 23 230
  94 0.5 5
  95 13 130
  96 2 20
  97 2 20
  100 1 10
  105 8 80
  106 6 60
  107 55 550
  108 0.8 8
  109 29 290
  110 3 30
  111 4 40
  113 0.5 5
  119 6 60
  120 8 80
  121 56 560
  122 1 10
  123 18 180
  124 2 20
  125 2 20
  128 3.1 31
  129 2 20
  133 10 100
  134 3 30
  135 0.6 6
  136 6 60
  137 14 140
  139 4 40
  141 0.5 5
  142 3 30
  147 15 150
  148 3 30
  149 3.3 33
  150 5 50
  151 6 60
  153 2 20
  161 0.4 4
  163 2 20
  168 4 40
  175 8 80
  176 0.4 4
  177 4 40
  182 2 20
  191 3 30
  194 0.3 3
  207 2 20
  219 2 20
  221 17 170
  222 0.2 2
  264 17 170
//
