ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009237
RECORD_TITLE: ETHYL 2,4-HEXADIENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 2,4-HEXADIENOATE
CH$NAME: ETHYL SORBATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂O₂
CH$EXACT_MASS: 140.08373
CH$SMILES: CC=CC=CC(=O)OCC
CH$IUPAC: InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+
CH$LINK: INCHIKEY OZZYKXXGCOLLLO-TWTPFVCWSA-N
CH$LINK: COMPTOX DTXSID80883712

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014j-9000000000-9a19a8aabe4950080f4a
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  15 2.9 29
  26 3.9 39
  27 26.9 269
  29 1.66 17
  30 1.3 13
  31 1.4 14
  37 1.3 13
  38 0.52 5
  39 53.3 533
  41 60.1 601
  42 3 30
  43 1.12 11
  45 2.2 22
  50 2.6 26
  51 5.4 54
  52 0.37 4
  53 3.3 33
  55 7.9 79
  56 1.4 14
  58 0.1 1
  62 1.6 16
  63 3.6 36
  64 1.2 12
  65 1.86 19
  66 25.2 252
  67 99.99 999
  68 10.9 109
  69 0.36 4
  70 1.2 12
  79 1.4 14
  81 2.7 27
  83 0.32 3
  84 3.6 36
  93 1.3 13
  94 2.5 25
  95 9.6 96
  96 6.2 62
  97 73.4 734
  98 3.6 36
  111 0.57 6
  112 9 90
  125 28 280
  126 2.2 22
  140 4.01 40
  141 3.3 33
//