ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003304
RECORD_TITLE: DIMETHYL ISOPHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL ISOPHTHALATE
CH$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$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-2900000000-d84767b2ade7053cf483
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  50 8.7 87
  51 2.9 29
  52 4.2 42
  58 2.2 22
  62 1.5 15
  63 1.5 15
  66 4.2 42
  74 0.35 4
  75 6.9 69
  76 11.1 111
  77 8.2 82
  79 0.12 1
  92 3.1 31
  103 7.3 73
  104 3.5 35
  105 0.17 2
  107 2.6 26
  119 4 40
  120 6.2 62
  121 0.15 2
  129 1.7 17
  135 26.1 261
  136 2.6 26
  149 0.29 3
  163 99.99 999
  164 11.8 118
  165 1.7 17
  185 0.13 1
  193 3.1 31
  194 32.5 325
  195 3.5 35
//