MassBank Record: JP005296



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

ACCESSION: JP005296
RECORD_TITLE: DIBUTYL FUMARATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIBUTYL FUMARATE CH$NAME: FUMARIC ACID DIBUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H20O4 CH$EXACT_MASS: 228.13616 CH$SMILES: CCCCOC(=O)C=CC(=O)OCCCC CH$IUPAC: InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+ CH$LINK: INCHIKEY JBSLOWBPDRZSMB-BQYQJAHWSA-N
AC$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-0a4i-9600000000-62d2fc41017e38396f5a PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 15 1.42 14 26 7.74 77 27 26.4 264 28 7.75 78 29 41.9 419 30 1.26 13 31 2.37 24 39 8.85 89 40 1.58 16 41 44.75 448 42 2.69 27 43 5.53 55 44 1.11 11 45 2.53 25 53 6.48 65 54 17.23 172 55 17.07 171 56 99.99 999 57 59.53 595 58 2.69 27 71 5.85 59 72 2.21 22 73 1.26 13 81 8.54 85 82 13.91 139 97 2.27 23 98 2.06 21 99 49.96 500 100 17.39 174 101 1.26 13 109 2.53 25 117 97.4 974 118 4.32 43 119 1.42 14 126 1.9 19 127 9.96 100 128 1.58 16 154 5.22 52 155 96.92 969 156 9.8 98 157 1.74 17 171 1.26 13 172 1.11 11 173 52.33 523 174 4.9 49 //