ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001751
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIETHYL ESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIETHYL ESTER
CH$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$IUPAC: InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY FLKPEMZONWLCSK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021780

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$SPLASH: splash10-002b-1900000000-503cf95871c5904aff71
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  4 2.9 29
  28 0.36 4
  29 6.07 61
  45 1.5 15
  65 5.31 53
  76 1.69 17
  77 3.03 30
  78 0.38 4
  91 0.69 7
  93 6.73 67
  94 0.49 5
  98 0.4 4
  103 0.2 2
  104 6 60
  105 13.6 136
  106 2.56 26
  107 0.38 4
  121 7.58 76
  122 4.78 48
  123 0.33 3
  126 2.77 28
  131 0.34 3
  132 2.92 29
  133 0.86 9
  135 0.84 8
  140 1.03 10
  141 0.17 2
  147 0.19 2
  148 1.84 18
  149 99.99 999
  150 20.04 200
  151 1.85 19
  152 0.1 1
  164 0.57 6
  166 0.15 2
  175 0.2 2
  176 14.5 145
  177 46.36 464
  178 9.64 96
  179 1.01 10
  194 1.12 11
  195 0.57 6
  221 0.53 5
  222 4.58 46
  223 0.66 7
//