MassBank Record: JP003395



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

ACCESSION: JP003395
RECORD_TITLE: DIBUTYL MALEATE; 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$NAME: DIBUTYL MALEATE CH$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$SPLASH: splash10-0a4j-9300000000-5a826c79fadb0ad7d141 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 45 2.8 28 53 15.8 158 54 12.4 124 55 45.6 456 56 78 780 57 4.2 42 71 4.2 42 72 0.28 3 75 5.5 55 82 9.4 94 99 99.99 999 100 2.91 29 101 2.4 24 117 63.2 632 118 2.8 28 127 0.22 2 154 6.6 66 155 17.1 171 156 4 40 173 2.08 21 174 2.1 21 //