MassBank Record: JP001752



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

ACCESSION: JP001752
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIETHYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIETHYL ESTER CH$NAME: DIETHYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H14O4 CH$EXACT_MASS: 222.08921 CH$SMILES: CCOC(=O)c(c1)c(ccc1)C(=O)OCC CH$IUPAC: InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
AC$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$SPLASH: splash10-004i-0930000000-7086cd5850c044d82e6a PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 63 0.23 2 65 0.58 6 69 0.33 3 70 0.16 2 71 0.2 2 77 0.19 2 79 0.12 1 81 0.25 3 85 0.2 2 91 0.16 2 93 0.2 2 104 0.56 6 105 1.18 12 107 0.19 2 119 0.23 2 121 0.45 5 122 0.16 2 123 0.23 2 125 1.46 15 132 0.14 1 133 0.91 9 135 0.35 4 140 3.07 31 145 0.43 4 147 0.49 5 148 0.21 2 149 23.51 235 150 3.07 31 151 1.08 11 163 1.12 11 164 0.13 1 175 0.18 2 176 2.27 23 177 99.99 999 178 15.92 159 179 2.3 23 180 0.16 2 187 0.17 2 189 0.28 3 191 0.66 7 194 0.12 1 195 0.24 2 221 0.2 2 222 1.71 17 223 51.65 517 224 7.11 71 225 0.77 8 //