MassBank Record: JP002097



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

ACCESSION: JP002097
RECORD_TITLE: FUMARIC 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$NAME: FUMARIC ACID DIMETHYL ESTER CH$NAME: TRANS-BUTENEDIOIC ACID DIMETHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H8O4 CH$EXACT_MASS: 144.04226 CH$SMILES: COC(=O)C=CC(=O)OC CH$IUPAC: InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
AC$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: splash10-03di-9600000000-85c5795d39a711edce4a PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 15 23.21 232 26 10.89 109 27 3.22 32 29 4.66 47 30 1.43 14 31 2.15 22 39 4.3 43 41 3.51 35 42 1.43 14 44 1.43 14 53 13.9 139 54 9.67 97 55 3.01 30 59 28.72 287 81 3.8 38 82 5.16 52 85 45.77 458 86 2.58 26 99 1.79 18 100 1.93 19 113 99.99 999 114 17.19 172 115 1.58 16 144 1 10 //