ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009846
RECORD_TITLE: (Z)-ETHYL 3,7-DIMETHYL-2,6-OCTADIENOATE; 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$NAME: (Z)-ETHYL 3,7-DIMETHYL-2,6-OCTADIENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CCOC(=O)C([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C12H20O2/c1-5-14-12(13)9-11(4)8-6-7-10(2)3/h7,9H,5-6,8H2,1-4H3/b11-9-
CH$LINK: INCHIKEY ZPKNTCZTABQJPS-LUAWRHEFSA-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$SPLASH: splash10-014i-9400000000-ab9faac76ecdb6c28f19
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  27 6.1 61
  28 1 10
  29 7.1 71
  39 0.96 10
  40 1.8 18
  41 46.9 469
  42 2.7 27
  43 0.73 7
  44 1.3 13
  51 1.5 15
  53 7.1 71
  54 0.32 3
  55 4.5 45
  56 1.4 14
  57 1.2 12
  59 0.19 2
  65 1.9 19
  67 7.5 75
  68 3.9 39
  69 99.99 999
  70 6.3 63
  77 2.7 27
  79 3.7 37
  80 0.13 1
  81 5.1 51
  82 17.7 177
  83 14 140
  84 0.18 2
  85 5.2 52
  91 4.5 45
  93 2.6 26
  95 0.36 4
  96 1.1 11
  97 1.3 13
  99 1.1 11
  100 3.07 31
  101 1.8 18
  105 2.3 23
  107 7.4 74
  108 0.43 4
  109 6.8 68
  111 2.9 29
  112 3.2 32
  113 0.47 5
  121 3.9 39
  122 12 120
  123 21.7 217
  124 0.23 2
  128 40.5 405
  129 3.2 32
  135 2.9 29
  139 0.21 2
  141 1.4 14
  149 1.2 12
  150 6.8 68
  151 1.41 14
  152 1.9 19
  153 5.6 56
  196 5.3 53
//