ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003220
RECORD_TITLE: DIETHYL BUTYLMALONATE; 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$NAME: DIETHYL BUTYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₄
CH$EXACT_MASS: 216.13616
CH$SMILES: CCCCC(C(=O)OCC)C(=O)OCC
CH$IUPAC: InChI=1S/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3
CH$LINK: COMPTOX DTXSID90157895
CH$LINK: INCHIKEY RPNFNBGRHCUORR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67244

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$SPLASH: splash10-03di-0900000000-3fec4684d8e753b30ef7
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  97 19 190
  101 24 240
  114 15 150
  115 20 200
  124 5 50
  127 5 50
  131 5 50
  132 15 150
  133 28 280
  134 5 50
  142 5 50
  143 7 70
  159 5 50
  160 99.99 999
  161 8 80
  170 5 50
  171 29 290
  173 7 70
  216 5 50
//