ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001838
RECORD_TITLE: DIMETHYL PHTHALATE; 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$NAME: DIMETHYL PHTHALATE
CH$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: COC(=O)c(c1)c(ccc1)C(=O)OC
CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
CH$LINK: INCHIKEY NIQCNGHVCWTJSM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3022455

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$SPLASH: splash10-03di-4900000000-4b5a7315902788fc4921
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 4.3 43
  28 2.09 21
  29 1.16 12
  39 1.45 15
  50 8.25 83
  51 2.79 28
  52 1.1 11
  63 1.22 12
  64 2.21 22
  74 2.32 23
  75 2.61 26
  76 9.1 91
  77 22.08 221
  78 1.45 15
  79 1.74 17
  92 7.9 79
  104 4.36 44
  105 2.96 30
  120 2.03 20
  133 4.76 48
  135 6.91 69
  163 99.99 999
  164 9.88 99
  165 1.1 11
  194 6.62 66
//