MassBank Record: JP001747



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

ACCESSION: JP001747
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID BENZYL BUTYLESTER; EI-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$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052e-4920000000-89027a8d7d37be6301e0 PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 4 8.83 88 29 5.17 52 41 6.15 62 55 2.56 26 56 7.82 78 57 7.97 80 58 0.27 3 65 3.28 33 73 2.31 23 76 0.59 6 77 1.8 18 78 0.35 4 79 2.72 27 89 0.4 4 90 1.05 11 91 75.3 753 92 6.98 70 93 1.61 16 104 13.63 136 105 14.44 144 106 2.69 27 107 8.44 84 108 2.18 22 109 0.11 1 118 0.18 2 121 2.35 24 122 11.57 116 123 19.31 193 124 1.35 14 131 0.34 3 132 22.01 220 133 3.61 36 134 0.39 4 135 9.47 95 136 2.73 27 137 0.24 2 148 0.3 3 149 99.99 999 150 16.14 161 151 1.81 18 152 0.22 2 154 0.63 6 164 0.25 3 165 0.93 9 166 0.45 5 167 0.28 3 177 1.17 12 178 7.34 73 179 0.71 7 181 0.13 1 193 0.25 3 194 0.97 10 195 0.16 2 205 6.48 65 206 37.33 373 207 4.88 49 208 0.5 5 211 0.54 5 238 4.3 43 239 0.99 10 312 1.31 13 313 0.73 7 //