ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002178
RECORD_TITLE: 2,5-DIMETHYL-2,4-HEXADIENEDIOIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 2,5-DIMETHYL-2,4-HEXADIENEDIOIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₄
CH$EXACT_MASS: 198.08921
CH$SMILES: COC(=O)C(C)=CC=C(C)C(=O)OC
CH$IUPAC: InChI=1S/C10H14O4/c1-7(9(11)13-3)5-6-8(2)10(12)14-4/h5-6H,1-4H3/b7-5+,8-6+
CH$LINK: INCHIKEY DZQYXTIAUQLOHM-KQQUZDAGSA-N

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-000i-5900000000-9492163c668e4c95e698
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  38 1.5 15
  39 9.8 98
  41 8.2 82
  43 1.33 13
  50 1.5 15
  51 4.1 41
  52 2.8 28
  53 0.91 9
  54 1 10
  55 5.2 52
  59 3 30
  62 0.06 1
  63 0.8 8
  65 1.9 19
  66 1.5 15
  67 0.41 4
  68 1.3 13
  69 5.4 54
  77 10.2 102
  78 0.24 2
  79 15.9 159
  80 2.6 26
  81 2.8 28
  82 0.06 1
  83 2.1 21
  84 0.6 6
  95 5.2 52
  96 0.56 6
  97 15.7 157
  98 2.8 28
  106 1.3 13
  107 1.31 13
  108 2.8 28
  109 1.7 17
  110 1.3 13
  111 0.3 3
  112 12.4 124
  113 1 10
  117 0.8 8
  121 0.1 1
  122 1 10
  123 3.7 37
  124 5.2 52
  125 0.08 1
  127 0.6 6
  135 1 10
  137 3.4 34
  138 0.32 3
  139 99.99 999
  140 8.9 89
  141 1.3 13
  142 0.06 1
  143 1.7 17
  151 6.7 67
  152 1 10
  153 0.13 1
  155 0.8 8
  165 0.8 8
  166 1.3 13
  167 0.76 8
  168 1 10
  183 1.9 19
  184 1 10
  197 0.06 1
  198 9.3 93
  199 1 10
//