ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010156
RECORD_TITLE: 3,7,11-TRIMETHYL-(2,6Z,10Z)-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$NAME: 3,7,11-TRIMETHYL-(2,6Z,10Z)-DODECATRIENE-1-CARBOXYLIC ACID ETHYL ESTER
CH$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: splash10-015c-9600000000-7b737fe9f960516a01a8
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  27 6 60
  28 2 20
  29 8 80
  39 0.8 8
  41 50 500
  42 3 30
  43 10 100
  53 1 10
  54 4 40
  55 11 110
  57 3 30
  65 0.2 2
  67 13 130
  68 8 80
  69 99.99 999
  70 0.6 6
  71 2 20
  77 5 50
  79 6 60
  80 0.3 3
  81 48 480
  82 21 210
  83 9 90
  85 0.4 4
  91 7 70
  93 13 130
  94 2 20
  95 1.5 15
  96 2 20
  97 2 20
  99 2 20
  100 1.7 17
  101 2 20
  105 5 50
  107 8 80
  108 0.3 3
  109 35 350
  110 4 40
  111 6 60
  113 0.7 7
  119 2 20
  120 2 20
  121 38 380
  122 0.7 7
  123 13 130
  124 2 20
  125 2 20
  128 4.8 48
  129 4 40
  135 5 50
  136 7 70
  137 1.9 19
  138 2 20
  139 6 60
  141 6 60
  142 0.6 6
  147 13 130
  148 4 40
  149 32 320
  150 0.6 6
  151 8 80
  153 3 30
  161 2 20
  163 0.2 2
  175 6 60
  176 3 30
  190 3 30
  191 0.5 5
  195 2 20
  218 2 20
  219 3 30
  221 1.6 16
  222 2 20
  264 13 130
//
