ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001323
RECORD_TITLE: PHTHALIC 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$NAME: PHTHALIC ACID DIMETHYL ESTER (D6)
CH$NAME: DI(2H3)METHYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: [2H]C([2H])([2H])OC(=O)c(c1)c(ccc1)C(=O)OC([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3/i1D3,2D3
CH$LINK: INCHIKEY NIQCNGHVCWTJSM-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$SPLASH: splash10-014i-4900000000-8f6b7990a7ff0c457426
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  18 4.38 44
  28 2.46 25
  31 1.64 16
  32 1.31 13
  50 6.13 61
  52 1.15 12
  64 1.7 17
  74 1.64 16
  75 1.7 17
  76 6.3 63
  77 1.1 11
  78 18.07 181
  79 1.42 14
  82 1.37 14
  92 7.12 71
  104 2.46 25
  106 1.37 14
  120 1.1 11
  134 3.89 39
  138 7.72 77
  165 1.1 11
  166 99.99 999
  167 9.42 94
  200 6.79 68
//