MassBank Record: JP001766



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

ACCESSION: JP001766
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIBENZYL ESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIBENZYL ESTER CH$NAME: DIBENZYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H18O4 CH$EXACT_MASS: 346.12051 CH$SMILES: c(c3)ccc(c3)COC(=O)c(c2)c(ccc2)C(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2
AC$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$SPLASH: splash10-0007-8913000000-3aabc8680e281642ef60 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 67 0.39 4 69 0.67 7 79 1.14 11 91 99.99 999 92 10.92 109 93 0.74 7 105 1.02 10 107 21.76 218 108 1.5 15 131 2.8 28 133 4.58 46 149 30.33 303 150 2.61 26 167 10.52 105 168 0.44 4 169 5.16 52 170 0.48 5 179 0.7 7 181 35.07 351 182 5.39 54 199 0.73 7 239 10.1 101 240 1.5 15 257 1.88 19 271 0.6 6 347 34.08 341 348 11.53 115 349 1.73 17 //