ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009002
RECORD_TITLE: DIMETHYL MALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS 108-59-8
CH$LINK: COMPTOX DTXSID4029145
CH$LINK: INCHIKEY BEPAFCGSDWSTEL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7943

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0pbc-9200000000-c4cd9445b26712b886f0
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  14 4.96 50
  15 42.75 428
  27 5.44 54
  29 26.86 269
  30 3.05 31
  31 5.35 54
  41 5.22 52
  42 44.99 450
  43 22.92 229
  44 1.16 12
  45 14.08 141
  57 26.2 262
  58 5.12 51
  59 99.99 999
  60 1.53 15
  69 10.66 107
  74 46.85 469
  75 1.23 12
  100 3.63 36
  101 96.68 967
  102 3.66 37
  104 2.19 22
  132 2.64 26
//