ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007523
RECORD_TITLE: 2,3,4-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$NAME: 2,3,4-TRICHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H5Cl3O2
CH$EXACT_MASS: 237.93551
CH$SMILES: CC(=O)Oc(c1)c(Cl)c(Cl)c(Cl)c1
CH$IUPAC: InChI=1S/C8H5Cl3O2/c1-4(12)13-6-3-2-5(9)7(10)8(6)11/h2-3H,1H3
CH$LINK: COMPTOX DTXSID00210960
CH$LINK: INCHIKEY PCXZOWRGWZCTLG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:522000
AC$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: splash10-0007-9500000000-17d02191ca27fb8ebc73
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  35 1.3 13
  36 2.7 27
  38 1.5 15
  41 0.15 2
  42 5.6 56
  43 99.99 999
  44 2.1 21
  47 0.14 1
  48 1 10
  49 1.5 15
  50 1.3 13
  60 0.17 2
  61 10.8 108
  62 11.1 111
  63 2.6 26
  71 0.32 3
  72 2.3 23
  73 5.7 57
  74 3.3 33
  75 0.14 1
  83 2.9 29
  84 1.6 16
  85 2 20
  87 0.11 1
  96 5.3 53
  97 22.4 224
  98 2.8 28
  99 0.7 7
  106 2.7 27
  107 5 50
  108 2.7 27
  109 0.46 5
  111 1.1 11
  131 1.6 16
  132 4 40
  133 0.35 4
  134 2.6 26
  135 1.5 15
  141 1 10
  143 0.13 1
  145 1 10
  160 6.2 62
  161 1 10
  162 0.45 5
  167 9.6 96
  169 9.6 96
  171 2.9 29
  195 0.2 2
  196 34.4 344
  197 4.1 41
  198 32.8 328
  199 0.25 3
  200 10.7 107
  202 1 10
  238 6.6 66
  240 0.63 6
  242 2 20
//
