ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007519
RECORD_TITLE: 2,4,6-TRICHLOROPHENYL 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$NAME: 2,4,6-TRICHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H5Cl3O2
CH$EXACT_MASS: 237.93551
CH$SMILES: CC(=O)Oc(c(Cl)1)c(Cl)cc(Cl)c1
CH$IUPAC: InChI=1S/C8H5Cl3O2/c1-4(12)13-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3
CH$LINK: INCHIKEY RFOCPJZGJNKBOI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90177952
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$SPLASH: splash10-0006-9610000000-761d488dfef5f5695b97
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  35 2.7 27
  42 3.1 31
  43 99.99 999
  44 0.31 3
  61 4.5 45
  62 4.8 48
  72 2.4 24
  73 0.31 3
  74 2 20
  83 2.4 24
  96 2.4 24
  97 1.11 11
  99 3.8 38
  107 4.1 41
  109 3.8 38
  132 0.41 4
  133 2 20
  134 3.4 34
  160 3.1 31
  162 0.24 2
  167 4.5 45
  169 4.1 41
  195 1.3 13
  196 4.93 49
  197 5.5 55
  198 47.9 479
  199 3.4 34
  200 1.64 16
  238 11.5 115
  240 11.1 111
  242 3.4 34
//
