ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007421
RECORD_TITLE: ADIPIC ACID DIBUTYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ADIPIC ACID DIBUTYL ESTER
CH$NAME: HEXANEDIOIC ACID DIBUTYL ESTER
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: CAS 105-99-7
CH$LINK: INCHIKEY XTJFFFGAUHQWII-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021866

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-000i-0920000000-93dac0e6263bf020d7c5
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  73 1.49 15
  75 0.54 5
  79 0.63 6
  83 1.25 13
  84 0.6 6
  85 0.63 6
  87 3.25 33
  100 2.27 23
  101 4.1 41
  102 0.62 6
  111 6.38 64
  112 0.97 10
  128 0.57 6
  129 17.26 173
  130 1.35 14
  143 3.08 31
  156 2.68 27
  157 0.96 10
  169 3.61 36
  185 99.99 999
  186 10.5 105
  187 1.18 12
  203 0.7 7
  243 0.58 6
  259 42.34 423
  260 6.59 66
  261 0.71 7
//