ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001735
RECORD_TITLE: NONANEDIOIC 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$NAME: NONANEDIOIC ACID DIBUTYL ESTER
CH$NAME: DIBUTYL AZELATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₂O₄
CH$EXACT_MASS: 300.23006
CH$SMILES: CCCCOC(=O)CCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C17H32O4/c1-3-5-14-20-16(18)12-10-8-7-9-11-13-17(19)21-15-6-4-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY RISLXYINQFKFRL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5044815

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$SPLASH: splash10-08fr-5940000000-cceeed0caa5e81038d75
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  29 3.15 32
  41 5.93 59
  42 1.2 12
  43 2.09 21
  55 4.54 45
  56 37.36 374
  57 17.87 179
  60 6.69 67
  61 3.07 31
  68 3.42 34
  69 9.16 92
  70 0.65 7
  71 0.72 7
  73 7.7 77
  82 2.33 23
  83 12.25 123
  84 3.25 33
  85 0.69 7
  87 3.88 39
  96 0.58 6
  97 19.86 199
  98 2.02 20
  99 0.48 5
  100 0.77 8
  101 3.46 35
  102 0.49 5
  109 0.41 4
  110 6.04 60
  111 15.74 157
  112 2.93 29
  113 0.84 8
  114 1.04 10
  115 44.57 446
  116 6.05 61
  117 0.39 4
  128 2.82 28
  129 11.54 115
  130 3.29 33
  131 0.54 5
  137 1.11 11
  138 28.24 282
  139 18.68 187
  140 2.98 30
  141 0.67 7
  142 0.44 4
  143 0.83 8
  149 0.82 8
  155 0.55 6
  156 3.47 35
  157 48.16 482
  158 4.99 50
  159 0.4 4
  170 1.56 16
  171 21.62 216
  172 2.31 23
  184 1.85 19
  185 0.6 6
  186 4.32 43
  187 0.22 2
  212 1.71 17
  213 99.99 999
  214 13.81 138
  215 1.46 15
  231 0.71 7
//