ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010623
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0zmi-9500000000-c80cbda5b5f2af1cec0a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 8.6 86
  27 1.4 14
  29 11.7 117
  31 0.1 1
  42 6.6 66
  43 15.7 157
  45 4.7 47
  57 2.57 26
  58 8.3 83
  59 61.9 619
  60 1.6 16
  69 0.38 4
  72 1 10
  74 53.8 538
  75 2.1 21
  100 0.53 5
  101 99.99 999
  102 5.3 53
  104 3.1 31
  132 7.3 73
//