MassBank Record: JP009001



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

ACCESSION: JP009001
RECORD_TITLE: DIBUTYL FUMARATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
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+ CH$LINK: CAS 105-75-9 CH$LINK: INCHIKEY JBSLOWBPDRZSMB-BQYQJAHWSA-N
AC$INSTRUMENT: HITACHI M-80B AC$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$SPLASH: splash10-0aor-9400000000-5e930279227a33a98e53 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 26 3.51 35 27 14.37 144 31 9.95 100 40 2.21 22 41 36.67 367 42 7.38 74 43 15.43 154 44 5.11 51 45 3.01 30 53 6.75 68 54 13.81 138 55 19.77 198 56 96.93 969 57 33.98 340 58 2.2 22 71 5.56 56 72 4.69 47 73 1.71 17 80 1.48 15 81 8.1 81 82 11.18 112 97 2.66 27 98 3.01 30 99 36.49 365 100 14.65 147 101 1.93 19 109 2.55 26 117 98.81 988 118 4.6 46 126 2.13 21 127 8.8 88 157 2.1 21 173 34.42 344 174 3.22 32 //