MassBank Record: JP001827



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

ACCESSION: JP001827
RECORD_TITLE: PROPANEDIOIC ACID DIMETHYL ESTER; 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$NAME: PROPANEDIOIC ACID DIMETHYL ESTER CH$NAME: DIMETHYL MALONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H8O4 CH$EXACT_MASS: 132.04226 CH$SMILES: COC(=O)CC(=O)OC CH$IUPAC: InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3
AC$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: splash10-0pb9-9300000000-774c5b6ff9660ce1834a PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 14 2.45 25 15 17.42 174 27 3.72 37 29 25.44 254 30 1.96 20 31 5.28 53 41 5.38 54 42 39.14 391 43 25.24 252 44 2.45 25 45 11.94 119 57 35.23 352 58 5.68 57 59 99.99 999 60 2.05 21 69 8.22 82 74 28.47 285 100 4.21 42 101 99.02 990 102 4.01 40 104 2.45 25 105 1.27 13 132 1 10 133 1.86 19 //