ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007521
RECORD_TITLE: 2,3,5-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$NAME: 2,3,5-TRICHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H5Cl3O2
CH$EXACT_MASS: 237.93551
CH$SMILES: CC(=O)Oc(c1)c(Cl)c(Cl)cc(Cl)1
CH$IUPAC: InChI=1S/C8H5Cl3O2/c1-4(12)13-7-3-5(9)2-6(10)8(7)11/h2-3H,1H3
CH$LINK: INCHIKEY YHKQUZSHMROARS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90210959
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$SPLASH: splash10-0006-9310000000-531f77f27a53d2269f40
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  35 1.9 19
  37 1.8 18
  38 0.8 8
  42 0.24 2
  43 99.99 999
  44 2.6 26
  60 1.1 11
  61 0.36 4
  62 4.6 46
  63 1.2 12
  72 1.4 14
  73 0.21 2
  74 1.5 15
  83 1.4 14
  85 1.1 11
  96 0.15 2
  97 8.3 83
  98 1.1 11
  99 2.8 28
  107 0.22 2
  109 1.7 17
  132 1.2 12
  133 1.4 14
  134 0.09 1
  135 0.7 7
  160 3.1 31
  162 2.4 24
  167 0.37 4
  169 2.9 29
  171 1.1 11
  196 20 200
  197 0.12 1
  198 18.5 185
  199 1.2 12
  200 6.3 63
  202 0.02 0
  238 5.3 53
  240 5.3 53
  242 1.4 14
//
