MassBank Record: JP006241



 DIOCTYL PHTHALATE; EI-B; MS 
Mass Spectrum
Chemical Structure


ACCESSION: JP006241
RECORD_TITLE: DIOCTYL PHTHALATE; EI-B; MS
DATE: 2011.05.06 (Created 2008.10.21)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DIOCTYL PHTHALATE CH$NAME: BIS(2-ETHYLHEXYL) 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$IUPAC: InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3 CH$LINK: CAS 117-81-7
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$NUM_PEAK: 71 PK$PEAK: m/z int. rel.int. 43 0.78 8 45 0.2 2 50 0.88 9 51 0.27 3 52 0.25 3 53 0.96 10 54 1.15 12 55 14.07 141 56 6.56 66 57 34.96 350 58 1.37 14 63 0.23 2 65 1.3 13 66 0.25 3 67 1.03 10 68 1.11 11 69 6.52 65 70 19.53 195 71 22.65 227 72 1.6 16 73 0.27 3 74 0.25 3 75 0.32 3 76 2.82 28 77 1.21 12 78 0.51 5 79 0.58 6 81 0.99 10 82 1.48 15 83 6.25 63 84 3.66 37 85 0.56 6 91 0.42 4 92 0.23 2 93 1.93 19 94 0.22 2 95 0.35 4 97 0.51 5 98 0.28 3 104 6.8 68 105 2.14 21 106 0.37 4 109 0.22 2 110 0.61 6 111 0.56 6 112 9.8 98 113 12.39 124 114 1.2 12 115 0.24 2 121 1.4 14 122 1.82 18 123 0.68 7 132 2.41 24 133 0.85 9 148 0.4 4 149 99.99 999 150 11.88 119 151 1.32 13 162 0.61 6 163 0.4 4 167 39 390 168 3.96 40 169 0.32 3 179 0.24 2 180 0.31 3 261 0.49 5 262 0.42 4 279 18.23 182 280 3.49 35 281 0.44 4 390 0.3 3 //