ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007526
RECORD_TITLE: 2,3,4,6-TETRACHLOROPHENYL 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$NAME: 2,3,4,6-TETRACHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H4Cl4O2
CH$EXACT_MASS: 271.89654
CH$SMILES: CC(=O)Oc(c(Cl)1)c(Cl)c(Cl)c(Cl)c1
CH$IUPAC: InChI=1S/C8H4Cl4O2/c1-3(13)14-8-5(10)2-4(9)6(11)7(8)12/h2H,1H3
CH$LINK: INCHIKEY RHZFLXLMXCNOHX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00202729
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$SPLASH: splash10-000x-8290000000-6c835a35dba5c217f713
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  38 1.9 19
  42 2.2 22
  43 99.99 999
  44 0.34 3
  60 1.3 13
  61 2.8 28
  71 1.1 11
  83 0.13 1
  85 1 10
  95 1.5 15
  96 3.6 36
  97 0.13 1
  98 1.1 11
  106 1 10
  107 2.1 21
  108 0.11 1
  109 1.1 11
  130 1.1 11
  131 5.9 59
  132 0.11 1
  133 4 40
  141 1.1 11
  143 1.7 17
  165 0.11 1
  166 2.3 23
  167 2 20
  168 2.1 21
  169 0.1 1
  194 1.8 18
  196 3.9 39
  199 2.2 22
  201 0.28 3
  203 3.6 36
  205 1.8 18
  230 32 320
  231 0.31 3
  232 39.8 398
  233 3.1 31
  234 19.3 193
  235 0.18 2
  236 4.1 41
  237 1 10
  272 8.5 85
  274 1.04 10
  276 5 50
//
