ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007516
RECORD_TITLE: 3,4-DICHLOROPHENYL ACETATE; 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$NAME: 3,4-DICHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6Cl2O2
CH$EXACT_MASS: 203.97448
CH$SMILES: CC(=O)Oc(c1)cc(Cl)c(Cl)c1
CH$IUPAC: InChI=1S/C8H6Cl2O2/c1-5(11)12-6-2-3-7(9)8(10)4-6/h2-4H,1H3
CH$LINK: INCHIKEY OSKGYRIYNMZFSJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60939084
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-03dl-9610000000-543a6759e5f72e349e5b
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  36 2.3 23
  37 3.8 38
  38 2.4 24
  39 0.19 2
  42 4.3 43
  43 99.99 999
  44 3.5 35
  49 0.23 2
  50 2.2 22
  53 1.3 13
  60 1.3 13
  61 0.52 5
  62 9.9 99
  63 21 210
  64 1.5 15
  72 0.39 4
  73 10.3 103
  74 4.9 49
  75 4.9 49
  83 0.18 2
  84 1.3 13
  85 1.5 15
  97 3.4 34
  98 0.47 5
  99 12.7 127
  100 2.4 24
  101 4 40
  107 0.28 3
  109 3.8 38
  111 1.2 12
  126 3.6 36
  127 0.27 3
  128 1.4 14
  133 9.3 93
  134 2.8 28
  135 0.62 6
  136 1.5 15
  137 1.1 11
  145 1.4 14
  147 0.11 1
  161 1.7 17
  162 83 830
  163 8.8 88
  164 5.84 58
  165 5.5 55
  166 12.1 121
  204 21.1 211
  205 0.23 2
  206 14.2 142
  207 1.2 12
  208 2.4 24
//
