ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001741
RECORD_TITLE: OCTANEDIOIC ACID DIHEXYL 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$NAME: OCTANEDIOIC ACID DIHEXYL ESTER
CH$NAME: DIHEXYL SUBERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₈O₄
CH$EXACT_MASS: 342.27701
CH$SMILES: CCCCCCOC(=O)CCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C20H38O4/c1-3-5-7-13-17-23-19(21)15-11-9-10-12-16-20(22)24-18-14-8-6-4-2/h3-18H2,1-2H3
CH$LINK: INCHIKEY SZHOZZSBXPUVHJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50335293

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$SPLASH: splash10-052f-5940000000-73bbd707f7d1c555c7b8
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  42 7.59 76
  43 33.65 337
  56 19.37 194
  57 7.4 74
  69 13.11 131
  70 2.64 26
  71 1.39 14
  73 4.19 42
  82 3.72 37
  83 10.78 108
  84 21.4 214
  85 11.37 114
  87 4.24 42
  97 15.81 158
  98 2.04 20
  101 1.88 19
  110 3.53 35
  111 15.06 151
  112 3.32 33
  115 44.85 449
  116 1.57 16
  128 2.31 23
  129 17.98 180
  130 4.58 46
  138 24.95 250
  139 15.35 154
  140 1.71 17
  141 0.26 3
  156 2.49 25
  157 78.01 780
  158 7.29 73
  199 17.88 179
  200 1.84 18
  213 3.49 35
  214 3.71 37
  240 1.92 19
  241 99.99 999
  242 15.6 156
  259 2.52 25
//