ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001842
RECORD_TITLE: DIMETHYL TEREPHTHALATE; 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$NAME: DIMETHYL TEREPHTHALATE
CH$NAME: 1,4-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: COC(=O)c(c1)ccc(c1)C(=O)OC
CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
CH$LINK: INCHIKEY WOZVHXUHUFLZGK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020498

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$SPLASH: splash10-03di-3900000000-7ee8d82816aa448b1a19
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 6.17 62
  28 2.77 28
  29 1.41 14
  38 1.47 15
  39 1.64 16
  50 12.28 123
  51 2.26 23
  52 2.89 29
  53 1.13 11
  59 2.21 22
  63 1.41 14
  64 1.19 12
  66 2.32 23
  74 4.47 45
  75 9.96 100
  76 14.09 141
  77 8.55 86
  92 2.94 29
  103 14.66 147
  104 9.05 91
  105 1.7 17
  107 1.36 14
  119 4.53 45
  120 7.07 71
  135 24.56 246
  136 2.15 22
  163 99.99 999
  164 9.8 98
  165 1.08 11
  179 2.72 27
  194 21.17 212
  195 2.26 23
//