ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010604
RECORD_TITLE: DIMETHYL MALONATE; EI-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$NAME: DIMETHYL MALONATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0pb9-9300000000-1b07396aa97f9d4ecb73
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  14 3.5 35
  15 38.9 389
  27 5.1 51
  28 0.25 3
  29 18.7 187
  30 2 20
  31 4.5 45
  41 0.35 4
  42 32.3 323
  43 20.2 202
  44 1 10
  45 0.96 10
  57 32.8 328
  58 6.6 66
  59 99.99 999
  60 0.3 3
  69 9.1 91
  70 1 10
  74 53.5 535
  75 0.2 2
  100 5.1 51
  101 98.5 985
  102 5.1 51
  104 0.3 3
  132 7.6 76
  133 1.5 15
//