MassBank Record: JP003399



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

ACCESSION: JP003399
RECORD_TITLE: DIBUTYL 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$NAME: DIBUTYL FUMARATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H20O4 CH$EXACT_MASS: 228.13616 CH$SMILES: CCCCOC(=O)C=CC(=O)OCCCC CH$IUPAC: InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
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$SPLASH: splash10-0avi-9700000000-f6c971d16983af3ec415 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 43 9.9 99 45 2.6 26 53 19.5 195 54 23.5 235 55 89.5 895 56 77.4 774 57 2.7 27 71 0.7 7 72 2.4 24 74 2.3 23 81 9 90 82 1.42 14 97 2.3 23 98 2.3 23 99 54.8 548 100 1.9 19 109 3.4 34 117 99.99 999 118 5.5 55 126 0.28 3 127 12.8 128 128 2.1 21 154 8.4 84 155 9.76 98 156 10.8 108 157 2 20 173 92.6 926 174 0.71 7 229 5.5 55 //