MassBank Record: JP005936



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

ACCESSION: JP005936
RECORD_TITLE: OXALIC ACID DIETHYL 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$NAME: OXALIC ACID DIETHYL ESTER CH$NAME: DIETHYL OXALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H10O4 CH$EXACT_MASS: 146.05791 CH$SMILES: CCOC(=O)C(=O)OCC CH$IUPAC: InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3 CH$LINK: INCHIKEY WYACBZDAHNBPPB-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$SPLASH: splash10-016v-9800000000-c275bfb49505a8c438cd PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 71 2.86 29 73 1.9 19 74 33.14 331 75 81.96 820 77 3 30 91 61.77 618 99 1.09 11 119 99.99 999 120 3.43 34 121 1.64 16 146 2.66 27 147 70.13 701 148 3.46 35 //