ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010885
RECORD_TITLE: ETHYLENE SEBACATE; 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$NAME: ETHYLENE SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₄
CH$EXACT_MASS: 228.13616
CH$SMILES: O=C(C1)OCCOC(=O)CCCCCCC1
CH$IUPAC: InChI=1S/C12H20O4/c13-11-7-5-3-1-2-4-6-8-12(14)16-10-9-15-11/h1-10H2
CH$LINK: INCHIKEY XFQHIELVPOKJIM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60204345

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$SPLASH: splash10-052p-9300000000-c896368a6b987859316c
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  14 1.5 15
  15 3.6 36
  26 2.1 21
  27 26.3 263
  29 22.4 224
  30 1.3 13
  31 3.2 32
  39 22.9 229
  41 79.6 796
  42 36.9 369
  43 30.6 306
  44 4.5 45
  45 14 140
  51 1.2 12
  53 6.9 69
  54 10.4 104
  55 95.6 956
  56 20.3 203
  57 6.8 68
  58 2.4 24
  59 2.4 24
  60 4.7 47
  61 3.8 38
  65 1.2 12
  66 1.1 11
  67 15 150
  68 13.2 132
  69 28.8 288
  70 7.6 76
  71 4.4 44
  73 3.9 39
  74 1.8 18
  77 1.2 12
  79 6.6 66
  80 7.3 73
  81 15.8 158
  82 7.8 78
  83 21.3 213
  84 39.2 392
  85 3.5 35
  86 35.5 355
  87 5.8 58
  91 1.3 13
  93 3.8 38
  94 5.3 53
  95 10.3 103
  96 11.7 117
  97 26.1 261
  98 99.99 999
  99 28.2 282
  100 3.4 34
  101 5.1 51
  104 5.6 56
  105 1.2 12
  106 1.4 14
  107 4.3 43
  109 3.5 35
  110 9.4 94
  111 14.7 147
  112 14.9 149
  113 3.4 34
  117 2.1 21
  119 1.3 13
  120 2.8 28
  121 8.8 88
  122 3.1 31
  123 2.3 23
  124 5.7 57
  125 8 80
  126 1.1 11
  127 1.8 18
  131 3.3 33
  137 2.5 25
  138 34.7 347
  139 14.4 144
  140 2.7 27
  141 1.5 15
  145 14 140
  146 1.2 12
  148 4.5 45
  149 1.2 12
  155 1.5 15
  166 45.9 459
  167 6.4 64
  168 5.5 55
  169 7.6 76
  170 1.1 11
  185 68.4 684
  186 6.9 69
  210 4.5 45
//