MassBank Record: JP003085



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

ACCESSION: JP003085
RECORD_TITLE: DIOCTYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: DIOCTYL PHTHALATE CH$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$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052e-9600000000-9c2d4146e7626a197b54 PK$NUM_PEAK: 117 PK$PEAK: m/z int. rel.int. 15 0.7 7 16 1.2 12 17 1.5 15 18 0.43 4 19 0.8 8 20 0.1 1 26 0.5 5 27 0.92 9 28 23 230 29 22 220 30 0.7 7 31 0.06 1 32 1.2 12 35 0.1 1 37 0.1 1 38 0.02 0 39 4.5 45 40 1 10 41 30 300 42 0.54 5 43 30 300 44 1.9 19 45 0.4 4 46 0.01 0 49 0.1 1 50 1.5 15 51 0.9 9 52 0.03 0 53 1.7 17 54 1.5 15 55 18.5 185 56 0.91 9 57 47 470 58 2.3 23 59 0.3 3 63 0.01 0 64 0.1 1 65 2.7 27 66 0.4 4 67 0.14 1 68 1.2 12 69 7 70 70 28 280 71 0.28 3 72 2.6 26 73 0.2 2 74 0.2 2 75 0.05 1 76 5.4 54 77 2.1 21 78 0.2 2 79 0.04 0 80 0.1 1 81 0.7 7 82 1.4 14 83 0.09 1 84 4.2 42 85 0.7 7 86 0.1 1 91 0.03 0 92 0.2 2 93 1.7 17 94 0.2 2 95 0.02 0 96 0.1 1 97 0.6 6 98 0.2 2 99 0.02 0 100 0.2 2 103 0.1 1 104 9.2 92 105 0.03 0 106 0.3 3 110 0.2 2 111 0.2 2 112 0.89 9 113 11 110 114 0.2 2 115 0.2 2 121 0.15 2 122 1.9 19 123 0.6 6 128 0.3 3 129 0.02 0 132 3.3 33 133 1.5 15 134 0.7 7 135 0.05 1 136 0.2 2 147 0.2 2 148 0.6 6 149 99.99 999 150 16.5 165 151 1.3 13 152 0.1 1 162 0.07 1 163 0.6 6 164 0.3 3 165 0.3 3 166 0.03 0 167 26 260 168 2.5 25 169 0.4 4 175 0.02 0 176 0.1 1 179 0.1 1 180 0.2 2 191 0.01 0 192 0.1 1 196 0.1 1 197 0.1 1 199 0.01 0 261 0.5 5 262 0.2 2 279 11 110 280 0.02 0 281 0.3 3 //