MassBank Record: JP003307



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

ACCESSION: JP003307
RECORD_TITLE: DI-ISOBUTYL 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$NAME: DI-ISOBUTYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H22O4 CH$EXACT_MASS: 278.15181 CH$SMILES: CC(C)COC(=O)c(c1)c(ccc1)C(=O)OCC(C)C CH$IUPAC: InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
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$SPLASH: splash10-0002-4910000000-f91f01037e6da27fb89b PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 43 15 150 50 4 40 51 1.7 17 54 2 20 55 6.9 69 56 26.1 261 57 1.7 17 65 0.5 5 75 1.3 13 76 8.5 85 77 1.9 19 93 0.2 2 104 9.7 97 105 2.4 24 121 2.9 29 122 0.13 1 132 2 20 149 99.99 999 150 10.9 109 151 0.13 1 167 4.1 41 205 3.8 38 223 17.2 172 224 0.19 2 278 2 20 //