ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009847
RECORD_TITLE: (E)-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$NAME: (E)-ETHYL 3,7-DIMETHYL-2,6-OCTADIENOATE
CH$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$LINK: INCHIKEY ZPKNTCZTABQJPS-PKNBQFBNSA-N
CH$LINK: COMPTOX DTXSID50885541

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$SPLASH: splash10-014i-9300000000-d1b188a0546b49c194ae
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  27 6.1 61
  29 7.5 75
  39 8.4 84
  40 0.17 2
  41 44.8 448
  42 2.5 25
  43 4.1 41
  51 0.1 1
  53 5.6 56
  54 2.1 21
  55 2.6 26
  65 0.1 1
  67 4.2 42
  68 2.7 27
  69 99.99 999
  70 0.58 6
  77 1.2 12
  79 1.4 14
  81 2.9 29
  82 0.95 10
  83 8.8 88
  85 2.8 28
  91 1.5 15
  93 0.13 1
  95 1.2 12
  100 20.3 203
  101 1.1 11
  107 0.33 3
  108 1.9 19
  109 1.4 14
  113 2.1 21
  122 0.84 8
  123 18.6 186
  124 1.6 16
  128 26.3 263
  129 0.21 2
  150 2.8 28
  151 12.3 123
  152 1.4 14
  153 0.44 4
  196 2.5 25
//