ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009665
RECORD_TITLE: DIETHYL TEREPHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL TEREPHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₄
CH$EXACT_MASS: 222.08921
CH$SMILES: CCOC(=O)c(c1)ccc(c1)C(=O)OCC
CH$IUPAC: InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY ONIHPYYWNBVMID-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8060909

AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-3910000000-b0bdfc9b0e4446b70df7
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  26 1.6 16
  27 8.9 89
  29 14.5 145
  39 0.33 3
  43 1 10
  45 5.7 57
  50 9.7 97
  51 0.42 4
  52 3 30
  53 1.1 11
  65 23.1 231
  66 0.69 7
  74 2.6 26
  75 7.6 76
  76 17.1 171
  77 0.4 4
  93 2.7 27
  103 10.2 102
  104 15.2 152
  105 0.4 4
  121 13.9 139
  122 2.8 28
  132 1.9 19
  133 0.16 2
  149 53.2 532
  150 9.5 95
  151 1.1 11
  166 2.89 29
  167 2.7 27
  176 1.7 17
  177 99.99 999
  178 1.26 13
  179 1.8 18
  193 9.7 97
  194 21 210
  195 0.25 3
  221 1.8 18
  222 25 250
  223 3.5 35
//