MassBank Record: JP001768



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

ACCESSION: JP001768
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID ETHYL METHYLESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID ETHYL METHYLESTER CH$NAME: METHYLETHYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12O4 CH$EXACT_MASS: 208.07356 CH$SMILES: CCOC(=O)c(c1)c(ccc1)C(=O)OC CH$IUPAC: InChI=1S/C11H12O4/c1-3-15-11(13)9-7-5-4-6-8(9)10(12)14-2/h4-7H,3H2,1-2H3
AC$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$SPLASH: splash10-08fr-0940000000-810875acf539d12245ba PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 91 0.32 3 92 0.67 7 105 0.84 8 127 3.23 32 133 0.27 3 135 0.43 4 136 0.93 9 137 0.12 1 145 0.43 4 149 3.6 36 150 1.6 16 163 99.99 999 164 11.68 117 165 1.49 15 176 1.58 16 177 59.29 593 178 6.72 67 179 0.55 6 208 2.28 23 209 82.54 825 210 10.73 107 211 1.06 11 249 0.46 5 //