MassBank Record: JP002113



 MALONIC ACID DIMETHYL ESTER (1,1,1,7,7,7-D6); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002113
RECORD_TITLE: MALONIC ACID DIMETHYL ESTER (1,1,1,7,7,7-D6); 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$NAME: MALONIC ACID DIMETHYL ESTER (1,1,1,7,7,7-D6) CH$NAME: PROPANEDIOIC ACID DIMETHYL ESTER (1,1,1,7,7,7-D6) CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H8O4 CH$EXACT_MASS: 132.04226 CH$SMILES: [2H]C([2H])([2H])OC(=O)CC(=O)OC([2H])([2H])[2H] CH$IUPAC: InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3/i1D3,2D3
AC$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: splash10-0ik9-9200000000-d60208b3cf3bfe73f67b PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 18 47.09 471 28 4.6 46 29 3.32 33 30 5.82 58 32 12.74 127 33 2.66 27 41 2.77 28 42 17.73 177 43 2.22 22 44 16.62 166 45 1.55 16 48 1.66 17 50 4.99 50 60 27.15 272 61 2.66 27 62 99.99 999 63 2.94 29 69 9.58 96 78 34.35 344 79 1.27 13 102 1.94 19 103 3.05 31 104 77.84 778 105 3.88 39 110 1 10 120 1.39 14 138 3.05 31 //