ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007419
RECORD_TITLE: ADIPIC ACID DIPROPYL 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$NAME: ADIPIC ACID DIPROPYL ESTER
CH$NAME: HEXANEDIOIC ACID DIPROPYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₄
CH$EXACT_MASS: 230.15181
CH$SMILES: CCCOC(=O)CCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
CH$LINK: CAS 106-19-4
CH$LINK: INCHIKEY NKOUWLLFHNBUDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6044511

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$SPLASH: splash10-00di-0910000000-6febc88482b2e0c708e3
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  69 1.27 13
  73 1.75 18
  74 0.5 5
  78 0.7 7
  83 3.21 32
  84 0.68 7
  85 0.68 7
  87 4.82 48
  97 0.53 5
  100 2.87 29
  101 5.94 59
  102 0.99 10
  103 0.54 5
  109 0.51 5
  111 10.9 109
  112 1.17 12
  113 0.69 7
  115 0.63 6
  127 0.69 7
  128 0.6 6
  129 15.95 160
  130 1.03 10
  142 2.32 23
  143 0.93 9
  169 2.63 26
  171 99.99 999
  172 9.09 91
  173 1.04 10
  231 29.34 293
  232 3.69 37
  233 0.5 5
//