ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001843
RECORD_TITLE: DIMETHYL ISOPHTHALATE; 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$NAME: DIMETHYL ISOPHTHALATE
CH$NAME: 1,3-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: COC(=O)c(c1)cc(cc1)C(=O)OC
CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
CH$LINK: INCHIKEY VNGOYPQMJFJDLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8027402

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$SPLASH: splash10-03di-3900000000-2d5d2fc06c4790885098
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 3.76 38
  28 3.25 33
  30 1.18 12
  38 1.03 10
  39 1.08 11
  50 10.58 106
  51 2.02 20
  52 3.25 33
  59 1.51 15
  63 1 10
  64 1 10
  66 3.76 38
  74 3.29 33
  75 8.04 80
  76 13.36 134
  77 7.86 79
  92 2.54 25
  103 9.41 94
  104 4.23 42
  105 1 10
  107 2.26 23
  119 4.75 48
  120 7.53 75
  135 31.61 316
  136 2.59 26
  149 1.93 19
  163 99.99 999
  164 9.69 97
  193 1.79 18
  194 16.7 167
  195 1.83 18
//