ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006036
RECORD_TITLE: DIMETHYL MALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0zfr-9600000000-6127a7f8f3921ef3a52c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 4.29 43
  29 6.86 69
  42 6.5 65
  43 10.59 106
  45 4.07 41
  57 16.16 162
  58 3.69 37
  59 49.87 499
  60 1.15 12
  69 4.02 40
  74 41.67 417
  75 1.59 16
  100 4.14 41
  101 99.99 999
  102 4.56 46
  132 4.29 43
  133 2.05 21
//