ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001734
RECORD_TITLE: OCTANEDIOIC 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$NAME: OCTANEDIOIC ACID DIBUTYL ESTER
CH$NAME: DIBUTYL SUBERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₀O₄
CH$EXACT_MASS: 286.21441
CH$SMILES: CCCCOC(=O)CCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C16H30O4/c1-3-5-13-19-15(17)11-9-7-8-10-12-16(18)20-14-6-4-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY LBXQUCHUHCBNTC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30167039

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$SPLASH: splash10-0kbe-3900000000-ae3e8e563151d90384d2
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  29 5.35 54
  41 8.97 90
  42 2.68 27
  43 5.07 51
  44 0.37 4
  55 4.97 50
  56 43.44 434
  57 26.35 264
  60 7.54 75
  61 2.86 29
  68 3.33 33
  69 10.86 109
  70 1.43 14
  71 1.55 16
  73 11.37 114
  82 0.69 7
  83 15 150
  84 1.31 13
  86 1.65 17
  87 3.13 31
  96 3.37 34
  97 22.84 228
  98 5.04 50
  99 1.35 14
  100 2.97 30
  101 76.01 760
  102 5.66 57
  103 4.94 49
  109 5.8 58
  111 0.77 8
  113 1.13 11
  114 12.93 129
  115 13.02 130
  116 5.31 53
  117 1.92 19
  123 0.55 6
  124 13.01 130
  125 73.11 731
  126 9.97 100
  127 1.1 11
  129 3.13 31
  141 1.66 17
  142 5.65 57
  143 77.07 771
  144 6.14 61
  145 0.42 4
  152 0.25 3
  153 0.74 7
  156 3.57 36
  157 20.83 208
  158 1.9 19
  170 6.4 64
  171 1.07 11
  172 5.18 52
  173 0.46 5
  185 0.37 4
  198 3.38 34
  199 99.99 999
  200 12.58 126
  201 1.56 16
  217 0.73 7
//