ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001715
RECORD_TITLE: HEXANEDIOIC ACID DIBUTYL ESTER; CI-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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-052r-0960000000-7178a1eeee518afa3f2a
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  66 0.23 2
  73 0.47 5
  83 0.87 9
  84 0.35 4
  85 0.47 5
  87 1.18 12
  90 2.75 28
  91 0.17 2
  93 0.19 2
  100 0.83 8
  101 1.98 20
  103 0.34 3
  111 3.62 36
  112 0.36 4
  113 0.22 2
  127 0.11 1
  129 15 150
  130 1.03 10
  132 8.07 81
  143 1 10
  145 0.19 2
  156 1.27 13
  157 0.52 5
  159 0.68 7
  169 2.5 25
  170 0.22 2
  171 0.15 2
  183 0.31 3
  185 99.99 999
  186 14.92 149
  187 1.77 18
  203 0.56 6
  243 0.44 4
  257 0.59 6
  259 84.84 848
  260 16.07 161
  261 2.04 20
  262 0.14 1
  299 0.22 2
//