ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003219
RECORD_TITLE: DIETHYL DIBUTYLMALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKATA H, DEPT. OF CHEMISTRY, AICHI KYOIKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL DIBUTYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₈O₄
CH$EXACT_MASS: 272.19876
CH$SMILES: CCCCC(CCCC)(C(=O)OCC)C(=O)OCC
CH$IUPAC: InChI=1S/C15H28O4/c1-5-9-11-15(12-10-6-2,13(16)18-7-3)14(17)19-8-4/h5-12H2,1-4H3
CH$LINK: INCHIKEY WHKKUUPZLWUOIW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4060496

AC$INSTRUMENT: HITACHI RMU-7
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00xr-0940000000-1582a295e7f49a92d190
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  94 6 60
  101 5 50
  115 11 110
  125 7 70
  127 16 160
  128 5 50
  142 10 100
  143 5 50
  157 20 200
  158 5 50
  159 5 50
  160 8 80
  169 8 80
  170 6 60
  171 8 80
  172 5 50
  173 99.99 999
  174 8 80
  199 33 330
  200 6 60
  215 5 50
  216 73 730
  217 7 70
  226 5 50
  227 33 330
  228 5 50
  272 3 30
//