ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008721
RECORD_TITLE: ETHYLENE DODECANEDIOATE; 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$NAME: ETHYLENE DODECANEDIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₄O₄
CH$EXACT_MASS: 256.16746
CH$SMILES: O=C(C1)OCCOC(=O)CCCCCCCCC1
CH$IUPAC: InChI=1S/C14H24O4/c15-13-9-7-5-3-1-2-4-6-8-10-14(16)18-12-11-17-13/h1-12H2
CH$LINK: INCHIKEY GJJSUPSPZIZYPM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1044568

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$SPLASH: splash10-052f-9100000000-8523f4d0bacbd3e98cab
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  15 3.27 33
  26 1.92 19
  27 30.36 304
  28 15.37 154
  29 35.69 357
  30 1.33 13
  31 3.87 39
  39 24.86 249
  40 1.07 11
  41 99.99 999
  42 34.16 342
  43 33.13 331
  44 3.9 39
  45 11.77 118
  53 7.32 73
  54 8.51 85
  55 86.73 867
  56 16.56 166
  57 7.42 74
  58 4.34 43
  59 2.29 23
  60 3.41 34
  61 2.42 24
  65 1.04 10
  66 1.04 10
  67 16.48 165
  68 8.03 80
  69 33.43 334
  70 7.01 70
  71 5.13 51
  73 3.16 32
  74 1.19 12
  79 3.82 38
  80 2.86 29
  81 9.98 100
  82 4.92 49
  83 19.84 198
  84 32 320
  85 3.92 39
  86 47.35 474
  87 13.2 132
  91 1.18 12
  93 3.9 39
  94 2.52 25
  95 4.56 46
  96 4.68 47
  97 14.7 147
  98 65.59 656
  99 29.57 296
  100 2.75 28
  101 1.73 17
  104 2.38 24
  105 1.08 11
  106 1 10
  107 2.11 21
  108 2.22 22
  109 3.42 34
  110 3.55 36
  111 13.99 140
  112 16.44 164
  113 3.6 36
  115 1.32 13
  117 1.25 13
  121 1.44 14
  122 1.18 12
  123 2.64 26
  124 2 20
  125 5.31 53
  126 1.8 18
  127 1.27 13
  129 1.41 14
  135 5.82 58
  137 1.83 18
  138 2.87 29
  141 1.68 17
  145 1.41 14
  148 1.29 13
  149 2.57 26
  150 1.23 12
  151 1.13 11
  152 2.43 24
  153 1.78 18
  155 3.51 35
  159 3.26 33
  166 5.14 51
  167 2.21 22
  168 1 10
  173 9.69 97
  174 1.21 12
  194 3.11 31
  195 1.57 16
  196 1.18 12
  197 7.08 71
  198 1.08 11
  213 22.69 227
  214 2.71 27
  256 1.45 15
//