ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003792
RECORD_TITLE: DIMETHYL PHTHALATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL PHTHALATE
CH$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$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-03dj-0900000000-a563da8e92c894b54d40
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  63 0.33 3
  64 0.29 3
  65 0.26 3
  66 0.2 2
  74 0.4 4
  75 0.35 4
  76 0.81 8
  77 1.01 10
  78 0.22 2
  79 0.34 3
  91 0.59 6
  92 1.96 20
  93 0.17 2
  104 0.74 7
  105 1.57 16
  106 0.15 2
  107 0.2 2
  119 0.44 4
  120 0.39 4
  129 0.15 2
  130 0.18 2
  131 0.21 2
  132 0.14 1
  133 1.03 10
  134 0.11 1
  135 2.26 23
  136 9.03 90
  143 0.19 2
  145 0.2 2
  149 0.15 2
  151 0.52 5
  157 0.1 1
  159 0.99 10
  163 99.99 999
  164 28.61 286
  165 3.5 35
  166 0.28 3
  179 0.12 1
  189 0.36 4
  191 2.37 24
  192 0.33 3
  193 0.37 4
  194 4.41 44
  195 58.63 586
  196 11.43 114
  197 1.56 16
//