ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009639
RECORD_TITLE: DIETHYL 2,6-DIMETHYLTEREPHTHALATE; 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$NAME: DIETHYL 2,6-DIMETHYLTEREPHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₄
CH$EXACT_MASS: 250.12051
CH$SMILES: CCOC(=O)c(c1)cc(C)c(C(=O)OCC)c(C)1
CH$IUPAC: InChI=1S/C14H18O4/c1-5-17-13(15)11-7-9(3)12(10(4)8-11)14(16)18-6-2/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY SFIMTKVOVRYIGN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90856215

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$SPLASH: splash10-0zfr-2390000000-cf05d326ff00393b51e4
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 7.6 76
  29 12.7 127
  39 0.37 4
  40 1 10
  41 1.7 17
  43 10.7 107
  44 0.24 2
  45 2.3 23
  50 1 10
  51 4.8 48
  52 0.23 2
  53 2.5 25
  55 1.1 11
  63 3.3 33
  64 0.1 1
  65 3.4 34
  75 1 10
  76 1.2 12
  77 1.66 17
  78 6.7 67
  79 3.7 37
  80 4.4 44
  89 0.15 2
  91 8 80
  92 1 10
  93 3.9 39
  102 0.22 2
  103 13 130
  104 7.9 79
  105 4.8 48
  107 0.1 1
  119 1.8 18
  121 4 40
  131 5.3 53
  132 0.7 7
  133 4.8 48
  147 1.3 13
  148 3.3 33
  149 1.34 13
  150 2.2 22
  160 1.4 14
  161 1.1 11
  163 0.14 1
  176 12.5 125
  177 29 290
  178 5.4 54
  193 1.17 12
  194 5.7 57
  204 80.8 808
  205 99.99 999
  206 1.48 15
  207 4.8 48
  221 11.8 118
  222 4.2 42
  235 0.48 5
  250 52.7 527
  251 8.7 87
//