ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007513
RECORD_TITLE: 2,6-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$NAME: 2,6-DICHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6Cl2O2
CH$EXACT_MASS: 203.97448
CH$SMILES: CC(=O)Oc(c(Cl)1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C8H6Cl2O2/c1-5(11)12-8-6(9)3-2-4-7(8)10/h2-4H,1H3
CH$LINK: INCHIKEY YNSMUWSJRXDNLN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60879299
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$SPLASH: splash10-03di-6910000000-e472eea506bf49d4f071
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  42 3.9 39
  43 88.8 888
  61 5.2 52
  62 0.78 8
  63 19.7 197
  73 12.5 125
  74 3.9 39
  75 0.59 6
  97 4.6 46
  98 5.9 59
  99 4.6 46
  126 0.72 7
  133 11.8 118
  135 7.2 72
  162 99.99 999
  163 0.72 7
  164 67.7 677
  165 5.2 52
  166 11.8 118
  204 3.09 31
  206 20.3 203
//
