ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C11H12O4/c1-3-15-11(13)9-7-5-4-6-8(9)10(12)14-2/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY HGERXYZHJFOFNE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90187617

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
//