ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010158
RECORD_TITLE: 3,7,11-TRIMETHYL-(2,6E,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$NAME: 3,7,11-TRIMETHYL-(2,6E,10Z)-DODECATRIENE-1-CARBOXYLIC ACID ETHYL ESTER
CH$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$LINK: INCHIKEY RAVLTUCAFRTDRY-NWFDBUFXSA-N
AC$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: splash10-017i-9500000000-b1e0c4e6fb81d818d74a
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  27 4 40
  29 10 100
  39 6 60
  41 4.2 42
  42 2 20
  43 8 80
  53 7 70
  54 0.4 4
  55 8 80
  65 2 20
  67 9 90
  68 0.6 6
  69 99.99 999
  70 6 60
  77 3 30
  79 0.5 5
  81 44 440
  82 19 190
  83 7 70
  91 0.4 4
  93 8 80
  95 11 110
  99 2 20
  100 1.3 13
  107 10 100
  108 3 30
  109 9 90
  113 0.3 3
  121 22 220
  122 5 50
  123 10 100
  125 0.2 2
  128 48 480
  129 4 40
  134 2 20
  135 0.4 4
  136 5 50
  137 11 110
  139 3 30
  141 0.2 2
  147 4 40
  149 3 30
  153 3 30
  190 0.2 2
  191 4 40
  203 3 30
  218 4 40
  219 0.8 8
  221 5 50
  264 3 30
//
