MassBank Record: JP003396



 DI(2-ETHYLHEXYL) MALEATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003396
RECORD_TITLE: DI(2-ETHYLHEXYL) 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$NAME: DI(2-ETHYLHEXYL) MALEATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H36O4 CH$EXACT_MASS: 340.26136 CH$SMILES: CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC CH$IUPAC: InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13-
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$SPLASH: splash10-0mb9-9300000000-c35d785cd385fc1ef8e2 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 53 3.6 36 54 46.2 462 55 22.6 226 56 99.99 999 57 4.7 47 67 2.8 28 68 2.6 26 69 2.13 21 70 85.5 855 71 57.7 577 72 3.4 34 82 0.95 10 83 23.9 239 84 12.9 129 97 2.1 21 99 1.79 18 100 33.1 331 101 2.1 21 110 4.7 47 111 0.56 6 112 43.6 436 113 30.1 301 114 2.4 24 117 8.58 86 118 5.2 52 211 2.9 29 212 3.3 33 229 0.94 9 341 2.6 26 //