ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007525
RECORD_TITLE: 2,3,5,6-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$NAME: 2,3,5,6-TETRACHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H4Cl4O2
CH$EXACT_MASS: 271.89654
CH$SMILES: CC(=O)Oc(c(Cl)1)c(Cl)c(Cl)cc(Cl)1
CH$IUPAC: InChI=1S/C8H4Cl4O2/c1-3(13)14-8-6(11)4(9)2-5(10)7(8)12/h2H,1H3
CH$LINK: INCHIKEY NHBOZDKIYJWIIT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70977477
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$SPLASH: splash10-0006-9240000000-328f8a921cf206edc915
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  35 1.5 15
  37 2.6 26
  41 1.4 14
  42 0.47 5
  43 99.99 999
  44 2.3 23
  47 1.7 17
  49 0.11 1
  60 3.3 33
  61 7 70
  71 1.5 15
  72 0.27 3
  73 1.6 16
  74 1 10
  83 2.1 21
  84 0.14 1
  85 1.4 14
  87 1.5 15
  95 3.3 33
  96 0.89 9
  97 2.8 28
  98 3.1 31
  106 1.1 11
  107 0.46 5
  108 2.8 28
  109 3.1 31
  130 1.4 14
  131 1.22 12
  132 1.4 14
  133 7.8 78
  135 1.5 15
  141 0.16 2
  143 2.6 26
  145 1.6 16
  166 2.3 23
  167 0.13 1
  168 2.2 22
  169 1.1 11
  194 1.9 19
  196 0.21 2
  198 1 10
  201 5.9 59
  203 8.4 84
  205 0.39 4
  230 15.8 158
  231 2 20
  232 20.5 205
  233 0.17 2
  234 10 100
  236 2.2 22
  272 4.7 47
  274 0.62 6
  276 2.8 28
//
