ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007520
RECORD_TITLE: 2,3,6-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$NAME: 2,3,6-TRICHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H5Cl3O2
CH$EXACT_MASS: 237.93551
CH$SMILES: CC(=O)Oc(c(Cl)1)c(Cl)c(Cl)cc1
CH$IUPAC: InChI=1S/C8H5Cl3O2/c1-4(12)13-8-6(10)3-2-5(9)7(8)11/h2-3H,1H3
CH$LINK: INCHIKEY NIXCFOKFBOFURO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30210958
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$SPLASH: splash10-0006-9300000000-c476c4ef7c1b7808214a
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  38 1.5 15
  41 1.1 11
  42 4.4 44
  43 99.99 999
  44 3 30
  47 1.4 14
  48 1.1 11
  49 0.14 1
  50 1.2 12
  53 1.5 15
  60 2.5 25
  61 0.96 10
  62 10.5 105
  63 2.1 21
  71 1.4 14
  72 0.45 5
  73 6.7 67
  74 4 40
  75 1.8 18
  83 0.3 3
  84 1.4 14
  85 2.3 23
  86 0.6 6
  87 0.11 1
  95 1.1 11
  96 4.6 46
  97 10.6 106
  98 0.24 2
  99 6.8 68
  106 1 10
  107 7.7 77
  108 0.2 2
  109 6 60
  110 0.8 8
  111 1.1 11
  131 0.13 1
  132 3.7 37
  133 2.4 24
  134 2.3 23
  135 0.11 1
  143 1.1 11
  144 0.5 5
  145 0.6 6
  160 0.33 3
  162 2.2 22
  167 9.3 93
  168 0.8 8
  169 0.89 9
  171 2.7 27
  181 0.5 5
  195 1 10
  196 1.93 19
  197 2.2 22
  198 18.5 185
  199 1.3 13
  200 0.59 6
  202 0.7 7
  238 4.6 46
  240 4.7 47
  242 1.2 12
//
