ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001827
RECORD_TITLE: PROPANEDIOIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PROPANEDIOIC ACID DIMETHYL ESTER
CH$NAME: DIMETHYL MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₄
CH$EXACT_MASS: 132.04226
CH$SMILES: COC(=O)CC(=O)OC
CH$IUPAC: InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3
CH$LINK: INCHIKEY BEPAFCGSDWSTEL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4029145

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0pb9-9300000000-774c5b6ff9660ce1834a
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  14 2.45 25
  15 17.42 174
  27 3.72 37
  29 25.44 254
  30 1.96 20
  31 5.28 53
  41 5.38 54
  42 39.14 391
  43 25.24 252
  44 2.45 25
  45 11.94 119
  57 35.23 352
  58 5.68 57
  59 99.99 999
  60 2.05 21
  69 8.22 82
  74 28.47 285
  100 4.21 42
  101 99.02 990
  102 4.01 40
  104 2.45 25
  105 1.27 13
  132 1 10
  133 1.86 19
//