MassBank Record: JP005955



 OXALIC ACID DIMETHYL ESTER; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP005955
RECORD_TITLE: OXALIC ACID DIMETHYL ESTER; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: OXALIC ACID DIMETHYL ESTER CH$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$LINK: INCHIKEY LOMVENUNSWAXEN-UHFFFAOYSA-N
AC$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-effe9ac55e135054ad65 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 90 3.06 31 91 1.79 18 105 1.55 16 118 26.66 267 119 99.99 999 120 4.03 40 //