ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007518
RECORD_TITLE: 3,5-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$NAME: 3,5-DICHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6Cl2O2
CH$EXACT_MASS: 203.97448
CH$SMILES: CC(=O)Oc(c1)cc(Cl)cc(Cl)1
CH$IUPAC: InChI=1S/C8H6Cl2O2/c1-5(11)12-8-3-6(9)2-7(10)4-8/h2-4H,1H3
CH$LINK: INCHIKEY DPHLEWZTIXLUGZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10977476
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$SPLASH: splash10-01ox-9500000000-28ab7e91ca541db49647
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  36 1.1 11
  37 2.3 23
  38 3.2 32
  41 0.21 2
  42 8.9 89
  43 99.99 999
  44 2.5 25
  49 0.11 1
  50 1.4 14
  60 1.5 15
  61 4.9 49
  62 0.97 10
  63 20.6 206
  64 1.3 13
  72 1.2 12
  73 0.72 7
  74 3.4 34
  75 3.7 37
  83 1.2 12
  85 0.12 1
  91 1.2 12
  97 2.3 23
  98 3.6 36
  99 0.57 6
  100 1.3 13
  101 1.5 15
  107 1 10
  109 0.22 2
  126 1.3 13
  127 1.1 11
  133 8.7 87
  135 0.56 6
  137 1 10
  145 1.1 11
  162 47 470
  163 0.38 4
  164 29.8 298
  165 2 20
  166 4.7 47
  204 1.42 14
  205 1.1 11
  206 9.4 94
  208 1.5 15
//
