ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010353
RECORD_TITLE: DIETHYL (E,E)-2,7-NONADIENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL (E,E)-2,7-NONADIENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O₄
CH$EXACT_MASS: 240.13616
CH$SMILES: CCOC(=O)C=CCCCC=CC(=O)OCC
CH$IUPAC: InChI=1S/C13H20O4/c1-3-16-12(14)10-8-6-5-7-9-11-13(15)17-4-2/h8-11H,3-7H2,1-2H3/b10-8+,11-9+
CH$LINK: INCHIKEY DGDKCADOPSQFGL-GFULKKFKSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-00pm-9400000000-6441e63dd92a6c87eb0d
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  26 6.28 63
  27 43.31 433
  29 99.99 999
  30 3.45 35
  31 3.83 38
  39 35.39 354
  40 11.16 112
  41 28.97 290
  42 9.06 91
  43 21.89 219
  45 10.13 101
  51 3.85 39
  52 3.33 33
  53 41.33 413
  54 13.13 131
  55 40.48 405
  57 15.41 154
  60 9.19 92
  61 11.26 113
  65 9.43 94
  66 13.77 138
  67 27.87 279
  68 47.44 474
  69 8.09 81
  70 8.47 85
  71 9.76 98
  73 9.53 95
  75 21.25 213
  77 9.85 99
  78 6.26 63
  79 30.41 304
  80 12.47 125
  81 88.63 886
  82 16 160
  83 4.17 42
  84 5.52 55
  85 13.35 134
  86 22.12 221
  88 20.45 205
  91 1.26 13
  92 25.33 253
  93 73.38 734
  94 22.85 229
  95 9.75 98
  97 17.17 172
  98 34.96 350
  99 32.09 321
  101 4.35 44
  107 18.1 181
  108 4.84 48
  111 8.18 82
  112 0.74 7
  114 10.67 107
  115 4.15 42
  119 3.65 37
  120 19.48 195
  121 37.7 377
  122 10.05 101
  123 4.26 43
  126 1.29 13
  127 14.28 143
  137 8.14 81
  138 25.3 253
  139 20.88 209
  140 11.03 110
  148 26.03 260
  149 24.51 245
  150 4.68 47
  152 7.37 74
  153 4.08 41
  165 4.16 42
  166 58.54 585
  167 34 340
  168 6.52 65
  194 20.5 205
  195 87.55 876
  196 13.31 133
  197 8.18 82
  240 14.08 141
  241 22.46 225
  242 3.56 36
//