ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001710
RECORD_TITLE: DECANEDIOIC 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$NAME: DECANEDIOIC ACID DIBUTYL ESTER
CH$NAME: DIBUTYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₄O₄
CH$EXACT_MASS: 314.24571
CH$SMILES: CCCCOC(=O)CCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY PYGXAGIECVVIOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1041847

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$SPLASH: splash10-052p-7910000000-ddef7e520d4682270616
PK$NUM_PEAK: 152
PK$PEAK: m/z int. rel.int.
  4 4.01 40
  27 1.67 17
  29 18.68 187
  30 0.47 5
  39 0.77 8
  40 0.25 3
  41 23.5 235
  42 2.18 22
  43 16.51 165
  45 0.69 7
  47 0.49 5
  53 0.31 3
  54 1.11 11
  55 24.02 240
  56 99.99 999
  57 70.09 701
  58 3.77 38
  59 2.19 22
  60 22.02 220
  61 11.07 111
  62 0.34 3
  65 1.43 14
  66 0.16 2
  67 4.92 49
  68 4.21 42
  69 18.13 181
  70 3.24 32
  71 3.4 34
  72 0.95 10
  73 17.76 178
  74 2.45 25
  75 2.62 26
  79 5.06 51
  80 2.68 27
  81 8.59 86
  82 4.9 49
  83 22.03 220
  84 27.69 277
  85 3.73 37
  86 1.14 11
  87 10.49 105
  88 2.89 29
  89 1.56 16
  91 2.38 24
  92 1.16 12
  93 3.64 36
  94 3.01 30
  95 9.04 90
  96 10.15 102
  97 47.52 475
  98 64.58 646
  99 7.22 72
  100 1.8 18
  101 22.32 223
  103 14.72 147
  105 10.19 102
  106 2.06 21
  107 5.2 52
  108 1.19 12
  109 12.07 121
  110 7.61 76
  111 12.57 126
  112 7.03 70
  113 2.98 30
  114 2.78 28
  115 11.31 113
  116 7.83 78
  117 3.89 39
  119 5.82 58
  120 4.24 42
  121 19.71 197
  122 3.9 39
  123 8.07 81
  124 9.34 93
  125 53.23 532
  126 5.79 58
  127 1.91 19
  128 1.38 14
  129 9.95 100
  130 5.18 52
  131 2.6 26
  133 4.14 41
  136 11.15 112
  138 36.32 363
  139 42.22 422
  140 6.29 63
  143 84.31 843
  144 6.18 62
  145 1.56 16
  147 2.56 26
  148 6.67 67
  149 4.41 44
  150 1.25 13
  151 2.88 29
  154 4.87 49
  156 2.94 29
  157 14.99 150
  158 6.35 64
  159 2.2 22
  160 1.14 11
  163 2.9 29
  165 3.45 35
  166 34.76 348
  167 10.55 106
  168 2.42 24
  169 2.19 22
  170 0.86 9
  171 1.41 14
  172 1.06 11
  173 0.37 4
  175 0.42 4
  176 0.32 3
  177 0.33 3
  181 6.07 61
  184 2.8 28
  185 79.07 791
  186 20.18 202
  187 2.48 25
  188 1.05 11
  189 0.1 1
  194 0.24 2
  196 0.62 6
  197 1.12 11
  198 2.97 30
  199 40.77 408
  200 6.83 68
  201 0.63 6
  206 0.54 5
  207 0.25 3
  211 0.36 4
  212 5.47 55
  213 1.74 17
  214 8.61 86
  215 1.47 15
  216 0.15 2
  222 0.44 4
  223 0.11 1
  224 1.79 18
  229 0.11 1
  240 5.37 54
  241 89.63 896
  242 25.78 258
  243 3.3 33
  244 0.35 4
  258 0.14 1
  259 1.79 18
  260 0.23 2
  285 0.41 4
  314 0.33 3
  315 8.2 82
  316 1.56 16
  317 0.19 2
//