MassBank Record: JP001762



 1,2-BENZENEDICARBOXYLIC ACID METHYL OCTYLESTER; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001762
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID METHYL OCTYLESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-BENZENEDICARBOXYLIC ACID METHYL OCTYLESTER CH$NAME: METHYLOCTYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H24O4 CH$EXACT_MASS: 292.16746 CH$SMILES: CCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OC CH$IUPAC: InChI=1S/C17H24O4/c1-3-4-5-6-7-10-13-21-17(19)15-12-9-8-11-14(15)16(18)20-2/h8-9,11-12H,3-7,10,13H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-03dl-1950000000-1a16bc84d7d4d5b7c3e7 PK$NUM_PEAK: 105 PK$PEAK: m/z int. rel.int. 63 0.31 3 64 0.14 1 65 0.68 7 66 0.72 7 67 0.78 8 71 1.38 14 74 0.59 6 75 4.81 48 77 0.9 9 78 0.39 4 82 0.11 1 83 0.11 1 84 0.79 8 85 2.43 24 90 15.18 152 92 4.49 45 93 0.44 4 103 0.11 1 104 1.33 13 105 5.08 51 106 0.79 8 107 0.22 2 109 0.2 2 110 0.27 3 111 2.3 23 112 0.94 9 113 2 20 114 0.13 1 118 0.28 3 119 0.44 4 120 0.74 7 121 0.85 9 122 0.39 4 132 0.24 2 133 2.2 22 134 0.23 2 135 4.49 45 136 0.84 8 137 0.65 7 141 0.12 1 143 0.48 5 144 0.26 3 145 1.15 12 147 1.48 15 149 37.56 376 150 4.04 40 151 0.62 6 152 0.11 1 155 0.15 2 163 99.99 999 164 37.02 370 165 7.58 76 166 0.49 5 173 0.23 2 175 1.08 11 176 0.19 2 177 1.76 18 178 0.21 2 179 0.14 1 181 11.43 114 182 1.18 12 183 0.15 2 187 1.6 16 188 0.22 2 189 6.7 67 190 0.87 9 191 0.47 5 195 0.16 2 196 0.1 1 201 0.15 2 203 0.23 2 207 0.4 4 208 0.24 2 211 0.39 4 221 1.62 16 222 0.23 2 223 0.25 3 225 0.17 2 233 2.9 29 235 0.18 2 236 0.12 1 239 0.33 3 249 0.2 2 257 0.18 2 259 0.76 8 261 30.3 303 262 7.49 75 263 1.02 10 264 0.15 2 267 0.13 1 290 2.91 29 293 81.95 820 295 7.28 73 296 0.92 9 297 0.28 3 307 1.23 12 308 0.25 3 309 0.18 2 319 0.23 2 321 0.42 4 331 1.83 18 332 0.64 6 333 4.75 48 334 1.06 11 335 0.52 5 //