ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010551
RECORD_TITLE: DIMETHYL ISOPHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
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$LINK: CAS 1459-93-4
CH$LINK: INCHIKEY VNGOYPQMJFJDLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8027402

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-03di-3900000000-53f81661bbecf50d929f
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 7.17 72
  29 4.11 41
  30 1.19 12
  38 1.36 14
  39 1.37 14
  50 11.41 114
  51 2.1 21
  52 1.98 20
  59 2.16 22
  63 1.66 17
  64 1.34 13
  66 3.14 31
  74 6.03 60
  75 9.73 97
  76 17.08 171
  77 7.8 78
  92 3.67 37
  103 8.48 85
  104 6.54 65
  105 1.63 16
  107 2.03 20
  119 5.95 60
  120 7.69 77
  135 24.4 244
  136 2.39 24
  149 2 20
  163 99.99 999
  164 10.2 102
  165 1.18 12
  193 2.34 23
  194 28.09 281
  195 3.29 33
//