ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006084
RECORD_TITLE: DIMETHYL OXALATE; CI-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$NAME: DIMETHYL OXALATE
CH$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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-014i-0900000000-53a47527f6dba483e9c6
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  118 0.38 4
  119 99.99 999
  120 4.16 42
//