ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001011
RECORD_TITLE: DIMETHYL OXALATE; 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$NAME: DIMETHYL OXALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₆O₄
CH$EXACT_MASS: 118.02661
CH$SMILES: COC(=O)C(=O)OC
CH$IUPAC: InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3
CH$LINK: INCHIKEY LOMVENUNSWAXEN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060287

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$SPLASH: splash10-0aor-9000000000-879de619ee069c462e70
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  14 1.21 12
  15 99.1 991
  28 5.05 51
  29 14.24 142
  30 2.53 25
  31 5.45 55
  33 1.01 10
  43 3.74 37
  44 3.03 30
  45 34.65 347
  59 99.99 999
  60 3.13 31
  118 1.82 18
//