MassBank Record: JP003398



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

ACCESSION: JP003398
RECORD_TITLE: DIETHYL FUMARATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL FUMARATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H12O4 CH$EXACT_MASS: 172.07356 CH$SMILES: CCOC(=O)C=CC(=O)OCC CH$IUPAC: InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fba-8900000000-53848d4e5cb7a994981f PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 43 14.5 145 45 14.1 141 53 31.5 315 54 55.4 554 55 2.2 22 71 14 140 72 2.2 22 81 0.48 5 82 19.4 194 98 2.7 27 99 82.5 825 100 1.41 14 117 4.3 43 125 3.6 36 126 50.4 504 127 99.99 999 128 14.7 147 129 1.7 17 143 9.5 95 145 1.26 13 173 52.2 522 174 3.3 33 //