ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001325
RECORD_TITLE: TEREPHTHALIC ACID DIMETHYL ESTER (D6); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: TEREPHTHALIC ACID DIMETHYL ESTER (D6)
CH$NAME: DI(2H3)METHYL TEREPHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: [2H]C([2H])([2H])OC(=O)c(c1)ccc(c1)C(=O)OC([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3/i1D3,2D3
CH$LINK: INCHIKEY WOZVHXUHUFLZGK-WFGJKAKNSA-N

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-014i-2910000000-b66dc699681b5861f86b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  18 5.06 51
  50 8.43 84
  52 1.97 20
  62 1.46 15
  66 1.63 16
  74 3.2 32
  75 7.36 74
  76 8.99 90
  78 3.03 30
  92 2.25 23
  103 12.42 124
  104 5.51 55
  119 3.09 31
  120 5.28 53
  138 20.79 208
  139 1.46 15
  165 1.35 14
  166 99.99 999
  167 9.49 95
  182 1.12 11
  200 23.48 235
  201 2.25 23
//