ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001324
RECORD_TITLE: ISOPHTHALIC 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$NAME: ISOPHTHALIC ACID DIMETHYL ESTER (D6)
CH$NAME: DI(2H3)METHYL ISOPHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: [2H]C([2H])([2H])OC(=O)c(c1)cc(cc1)C(=O)OC([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3/i1D3,2D3
CH$LINK: INCHIKEY VNGOYPQMJFJDLV-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$SPLASH: splash10-014i-3910000000-0b4b1e1dc8c57a2d19ce
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  18 5.26 53
  50 9.87 99
  51 1.05 11
  52 2.63 26
  62 1.46 15
  66 2.34 23
  74 3.8 38
  75 9.29 93
  76 13.49 135
  77 1.69 17
  78 5.2 52
  79 1.23 12
  92 3.15 32
  103 10.22 102
  104 3.56 36
  110 2.28 23
  119 5.26 53
  120 7.3 73
  138 29.26 293
  139 2.39 24
  165 1.29 13
  166 99.99 999
  167 9.81 98
  199 1.4 14
  200 22.14 221
  201 1.93 19
//