ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001767
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID ETHYL METHYLESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID ETHYL METHYLESTER
CH$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: COMPTOX DTXSID90187617
CH$LINK: INCHIKEY HGERXYZHJFOFNE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:36656

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$SPLASH: splash10-03di-1900000000-92109276c32b1c18fd16
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  29 4.62 46
  65 4.61 46
  76 1.75 18
  77 15.32 153
  78 0.97 10
  79 1.36 14
  91 4.28 43
  92 12.7 127
  93 4.15 42
  104 6.82 68
  105 10.9 109
  106 1.28 13
  118 0.77 8
  120 1.49 15
  121 4.33 43
  122 0.38 4
  132 1.76 18
  133 4.28 43
  134 0.52 5
  135 10.75 108
  136 14.95 150
  137 1.08 11
  149 55.15 552
  150 5.48 55
  151 0.58 6
  163 99.99 999
  164 17.37 174
  165 1.95 20
  176 11.32 113
  177 10.34 103
  178 1.12 11
  180 0.76 8
  181 0.46 5
  207 0.45 5
  208 5.91 59
  209 2.3 23
  210 0.11 1
//