ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001714
RECORD_TITLE: HEXANEDIOIC 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$NAME: HEXANEDIOIC ACID DIBUTYL ESTER
CH$NAME: DIBUTYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₄
CH$EXACT_MASS: 258.18311
CH$SMILES: CCCCOC(=O)CCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY XTJFFFGAUHQWII-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021866

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$SPLASH: splash10-0kbr-5900000000-f9d54bdf9e6a6d0e382c
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  27 0.45 5
  29 7.9 79
  41 12.52 125
  42 0.54 5
  43 7.02 70
  44 0.27 3
  45 0.67 7
  52 1.31 13
  54 1.75 18
  55 11.97 120
  56 52.69 527
  57 27.98 280
  58 2.42 24
  59 3.34 33
  60 9.33 93
  61 4.38 44
  64 0.41 4
  67 0.15 2
  68 2.25 23
  69 2.72 27
  70 0.42 4
  71 0.3 3
  73 9.89 99
  74 1.45 15
  75 0.38 4
  79 0.22 2
  82 1.76 18
  83 14.46 145
  84 5.9 59
  85 1.41 14
  86 1.04 10
  87 50.84 508
  88 2.3 23
  90 10.9 109
  95 8.17 82
  96 0.6 6
  97 0.45 5
  98 1.34 13
  99 1.66 17
  100 35.48 355
  101 36.54 365
  102 6.71 67
  103 2.29 23
  109 0.49 5
  110 3.75 38
  111 54.59 546
  112 10 100
  113 1.03 10
  114 0.24 2
  116 1.25 13
  117 0.4 4
  124 0.2 2
  126 0.27 3
  127 1.37 14
  128 5.54 55
  129 99.99 999
  130 10.25 103
  131 1.9 19
  132 1.84 18
  141 0.34 3
  142 0.92 9
  143 34.95 350
  144 3.44 34
  145 0.59 6
  147 0.3 3
  155 0.4 4
  156 41.26 413
  157 4.8 48
  158 4.27 43
  159 0.48 5
  169 0.97 10
  183 0.33 3
  184 3.45 35
  185 82.57 826
  186 14.87 149
  187 1.77 18
  202 0.11 1
  203 1.83 18
  204 0.19 2
  229 0.5 5
  258 0.78 8
  259 7.23 72
  260 1.11 11
//