MassBank Record: JP001748



 1,2-BENZENEDICARBOXYLIC ACID BENZYL BUTYLESTER; CI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP001748
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID BENZYL BUTYLESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID BENZYL BUTYLESTER CH$NAME: BUTYLBENZYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H20O4 CH$EXACT_MASS: 312.13616 CH$SMILES: CCCCOC(=O)c(c2)c(ccc2)C(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
AC$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$SPLASH: splash10-0btd-6986000000-58f2dee1ae1482e2ac02 PK$NUM_PEAK: 110 PK$PEAK: m/z int. rel.int. 65 1.2 12 74 0.21 2 75 0.57 6 76 0.86 9 77 0.54 5 78 0.37 4 85 1.34 13 87 4.86 49 89 5.87 59 90 4.58 46 91 99.99 999 92 10.83 108 93 1.11 11 104 2.16 22 105 4.13 41 106 0.8 8 107 4 40 108 13.57 136 115 0.1 1 117 0.88 9 118 0.14 1 119 0.83 8 121 0.7 7 122 0.82 8 123 1.64 16 124 0.21 2 128 0.29 3 129 1.37 14 130 0.26 3 131 7.31 73 132 2.71 27 133 7.36 74 134 6.29 63 135 3.5 35 136 0.47 5 141 0.18 2 143 1.11 11 144 0.8 8 145 1.35 14 147 3.1 31 149 76.21 762 150 8.46 85 151 1.29 13 152 0.24 2 155 0.22 2 159 0.2 2 163 0.86 9 164 0.19 2 165 2.73 27 166 0.56 6 167 0.73 7 168 0.11 1 177 0.71 7 178 1.37 14 179 2.04 20 180 0.76 8 181 18.92 189 182 4.4 44 183 1.01 10 187 0.27 3 189 2.95 30 190 0.38 4 191 0.72 7 192 0.14 1 193 0.44 4 194 0.41 4 195 0.42 4 197 0.16 2 205 97.81 978 206 37.2 372 207 4.92 49 208 0.66 7 209 0.23 2 211 0.15 2 219 0.14 1 221 0.67 7 222 0.22 2 223 13.51 135 224 2.35 24 225 0.36 4 236 0.12 1 237 0.13 1 238 2.7 27 239 10.17 102 240 1.71 17 241 0.23 2 257 0.21 2 261 0.13 1 263 0.2 2 265 0.24 2 269 0.27 3 271 2.06 21 272 0.54 5 279 0.14 1 309 0.12 1 313 92.58 926 314 43.15 432 315 7.82 78 316 1.13 11 317 0.15 2 351 2.77 28 352 0.65 7 353 0.6 6 354 0.18 2 355 0.18 2 361 0.16 2 369 0.36 4 403 4.41 44 404 1.32 13 405 0.21 2 //