ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001737
RECORD_TITLE: DODECANEDIOIC ACID DIBUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DODECANEDIOIC ACID DIBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₈O₄
CH$EXACT_MASS: 342.27701
CH$SMILES: CCCCOC(=O)CCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C20H38O4/c1-3-5-17-23-19(21)15-13-11-9-7-8-10-12-14-16-20(22)24-18-6-4-2/h3-18H2,1-2H3
CH$LINK: INCHIKEY PYWJUJAIGZXCMW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10166126

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4j-6940000000-983e3e2458dcd28131e9
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  29 3.69 37
  41 6.56 66
  43 4.9 49
  55 4.95 50
  56 52.42 524
  57 23.68 237
  58 1.44 14
  59 0.4 4
  60 8.95 90
  61 6.23 62
  67 1.85 19
  68 0.74 7
  69 10.38 104
  70 1.44 14
  71 2.96 30
  73 7.85 79
  74 0.8 8
  79 0.88 9
  80 0.73 7
  81 4.19 42
  82 1.65 17
  83 7.23 72
  84 18.47 185
  85 2.62 26
  86 0.23 2
  87 3.78 38
  91 0.33 3
  93 1.33 13
  94 1.57 16
  95 3.4 34
  96 5.36 54
  97 15.88 159
  98 59.34 593
  99 5.57 56
  100 0.89 9
  101 11.45 115
  102 1.14 11
  103 0.21 2
  107 0.88 9
  108 1.14 11
  109 2.43 24
  110 3.52 35
  111 10.32 103
  112 12.6 126
  113 1.59 16
  114 0.62 6
  115 11.23 112
  116 6.88 69
  117 2.65 27
  118 1.99 20
  120 1.54 15
  121 5.35 54
  122 0.55 6
  123 6.46 65
  124 2.76 28
  125 3.09 31
  126 0.79 8
  127 0.58 6
  128 0.65 7
  129 8.65 87
  130 1.22 12
  131 0.16 2
  133 1.65 17
  134 2.1 21
  135 9.7 97
  136 2 20
  137 2.61 26
  138 5.83 58
  139 36.08 361
  140 3.7 37
  141 0.36 4
  142 0.31 3
  143 1.86 19
  144 1.63 16
  145 1.15 12
  151 1.95 20
  152 16.67 167
  153 14.31 143
  154 3.59 36
  155 13.79 138
  157 34.96 350
  158 4.59 46
  159 0.44 4
  161 0.82 8
  162 2.27 23
  163 1.92 19
  164 0.42 4
  165 0.22 2
  169 0.26 3
  170 0.8 8
  171 8.7 87
  172 3.59 36
  173 1.12 11
  179 1.42 14
  180 7.83 78
  181 5.04 50
  182 1.19 12
  183 1.15 12
  185 1.5 15
  186 0.51 5
  197 1.48 15
  198 1.72 17
  199 69 690
  200 11.53 115
  201 1.2 12
  211 0.32 3
  212 2.96 30
  213 31.68 317
  214 4.47 45
  215 0.44 4
  226 1.18 12
  227 0.57 6
  228 6.17 62
  229 1.11 11
  236 0.19 2
  238 0.57 6
  253 0.26 3
  254 3.63 36
  255 99.99 999
  256 18.74 187
  257 2.21 22
  273 1.2 12
  299 0.1 1
  328 0.38 4
  329 3.1 31
  330 0.54 5
//