ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005821
RECORD_TITLE: 1,4-DIMETHYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 1,4-DIMETHYL PHTHALATE
CH$NAME: TEREPHTHARIC 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: COMPTOX DTXSID0020498
CH$LINK: INCHIKEY WOZVHXUHUFLZGK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8441

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ik9-1900000000-9f92dcf117078608103a
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  59 3.45 35
  75 8.28 83
  76 4.15 42
  77 19.2 192
  78 1.94 19
  79 2.47 25
  91 2.97 30
  92 7.45 75
  103 56.82 568
  104 21.91 219
  105 5.64 56
  107 4.19 42
  112 1.06 11
  118 4.06 41
  119 6.21 62
  120 15.89 159
  121 1.52 15
  136 2.88 29
  163 99.99 999
  164 10.61 106
  165 1.29 13
  179 1.47 15
  194 19.03 190
  195 2.09 21
//