ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007522
RECORD_TITLE: 2,4,5-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$NAME: 2,4,5-TRICHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H5Cl3O2
CH$EXACT_MASS: 237.93551
CH$SMILES: CC(=O)Oc(c1)c(Cl)cc(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C8H5Cl3O2/c1-4(12)13-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3
CH$LINK: INCHIKEY IRMIPIZHLIHQST-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80202222
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$SPLASH: splash10-0007-9520000000-bc54445adb6ddadb6793
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  42 2.2 22
  43 99.99 999
  44 2 20
  49 0.1 1
  50 1 10
  53 1 10
  60 1.3 13
  61 0.49 5
  62 6.9 69
  63 1.2 12
  72 2.6 26
  73 0.3 3
  74 2.1 21
  83 2.1 21
  85 1.3 13
  96 0.21 2
  97 12.8 128
  98 1.2 12
  99 4 40
  107 0.45 5
  108 1.1 11
  109 3.5 35
  131 1 10
  132 0.38 4
  133 3 30
  134 2.6 26
  135 1.5 15
  160 0.11 1
  161 1 10
  162 1.2 12
  167 5.5 55
  169 0.53 5
  171 1.5 15
  196 50.3 503
  197 4 40
  198 4.85 49
  199 3.4 34
  200 15.8 158
  201 1 10
  202 0.13 1
  238 8.8 88
  240 8.6 86
  242 2.6 26
//
