MassBank Record: JP003311



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

ACCESSION: JP003311
RECORD_TITLE: DI-N-OCTYL 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$NAME: DI-N-OCTYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C24H38O4 CH$EXACT_MASS: 390.27701 CH$SMILES: CCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCCCCCC CH$IUPAC: InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
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$SPLASH: splash10-0002-6910000000-a16b7210eeaa9d59b690 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 43 18.8 188 50 1 10 53 1 10 54 12.6 126 55 8.8 88 56 15.9 159 65 1.2 12 67 0.13 1 68 2 20 69 6.8 68 70 8.3 83 71 1.01 10 76 2 20 77 1.3 13 82 1.6 16 83 0.59 6 84 5.9 59 85 1.5 15 93 1.2 12 97 0.11 1 104 2.1 21 105 1.8 18 112 5.6 56 113 0.25 3 121 1.2 12 122 1.2 12 123 1.8 18 145 0.15 2 149 99.99 999 150 12.2 122 151 1.2 12 163 0.13 1 167 3.9 39 261 8.6 86 262 3.1 31 279 4.11 41 280 7.4 74 281 1 10 390 5.3 53 391 3.1 31 //