MassBank Record: JP003309



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

ACCESSION: JP003309
RECORD_TITLE: DI(2-ETHYL HEXYL)PHTHALATE; 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$NAME: DI(2-ETHYL HEXYL)PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C24H38O4 CH$EXACT_MASS: 390.27701 CH$SMILES: CCCCC(CC)COC(=O)c(c1)c(ccc1)C(=O)OCC(CC)CCCC CH$IUPAC: InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
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$SPLASH: splash10-0002-5900000000-8fe49d0875c15c9a186b PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 43 20.4 204 50 1.3 13 54 14.1 141 55 7.2 72 56 30.5 305 57 1.8 18 65 1.6 16 70 1.7 17 71 20 200 72 1.3 13 76 2.6 26 77 0.1 1 82 2 20 83 7.7 77 84 4 40 93 0.13 1 104 4.2 42 105 2.1 21 112 8.7 87 113 1.24 12 114 1.3 13 121 1.3 13 122 1.3 13 132 0.16 2 148 1.1 11 149 99.99 999 150 10.2 102 151 0.11 1 167 40.9 409 168 3.2 32 223 1 10 279 2.36 24 280 3.7 37 //