ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001712
RECORD_TITLE: DECANEDIOIC ACID BIS(2-ETHYLHEXYL) 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$NAME: DECANEDIOIC ACID BIS(2-ETHYLHEXYL) ESTER
CH$NAME: DI(2-ETHYLHEXYL) SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₅₀O₄
CH$EXACT_MASS: 426.37091
CH$SMILES: CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC
CH$IUPAC: InChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3
CH$LINK: INCHIKEY VJHINFRRDQUWOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7025055

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$SPLASH: splash10-01w0-6900000000-f8c6674e2d1f1ef6c95c
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
  29 0.65 7
  41 1.19 12
  42 1.21 12
  43 4.82 48
  44 5.59 56
  57 45.14 451
  58 1.87 19
  60 0.96 10
  61 5.2 52
  69 4.53 45
  70 54.31 543
  71 43.8 438
  72 2.79 28
  73 1.09 11
  81 0.95 10
  82 5.75 58
  83 20.43 204
  84 17.25 173
  85 1.76 18
  86 0.46 5
  87 1.05 11
  93 0.22 2
  95 0.51 5
  96 0.92 9
  97 5.42 54
  98 19.41 194
  99 1.75 18
  101 1.83 18
  102 0.14 1
  107 0.23 2
  109 1.24 12
  110 0.82 8
  111 2.83 28
  112 71.23 712
  113 46.79 468
  114 4.03 40
  115 5.58 56
  116 0.59 6
  119 0.29 3
  121 1.92 19
  122 0.38 4
  123 0.61 6
  124 1.06 11
  125 6.54 65
  126 0.89 9
  127 0.42 4
  128 1.32 13
  129 1.1 11
  130 1.64 16
  131 0.4 4
  137 0.61 6
  138 3.02 30
  139 5.95 60
  140 1.18 12
  141 1.06 11
  142 2 20
  143 15.11 151
  144 1.5 15
  148 0.64 6
  149 0.44 4
  150 0.96 10
  151 0.16 2
  154 0.49 5
  155 0.43 4
  156 1.02 10
  157 3.52 35
  158 6.75 68
  159 1.27 13
  165 0.39 4
  166 8.3 83
  167 2.09 21
  168 2.17 22
  169 2.19 22
  170 0.16 2
  172 0.53 5
  173 0.29 3
  183 0.86 9
  184 6.5 65
  185 99.99 999
  186 19.8 198
  187 2.18 22
  198 0.61 6
  199 0.7 7
  202 0.74 7
  203 6.45 65
  204 0.89 9
  210 0.15 2
  213 0.73 7
  214 0.1 1
  242 0.23 2
  254 0.24 2
  255 3.61 36
  256 0.64 6
  267 0.1 1
  268 1.35 14
  269 0.34 3
  270 1.86 19
  271 0.38 4
  279 0.23 2
  280 1.74 17
  296 1.4 14
  297 10.56 106
  298 2.3 23
  299 0.44 4
  314 0.54 5
  315 5.16 52
  316 0.97 10
  340 0.34 3
  368 0.23 2
  396 0.18 2
  425 0.17 2
  426 1.27 13
  427 0.31 3
//