ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007524
RECORD_TITLE: 3,4,5-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$NAME: 3,4,5-TRICHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H5Cl3O2
CH$EXACT_MASS: 237.93551
CH$SMILES: CC(=O)Oc(c1)cc(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C8H5Cl3O2/c1-4(12)13-5-2-6(9)8(11)7(10)3-5/h2-3H,1H3
CH$LINK: INCHIKEY XVARLELSNCXVLM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90974620
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$SPLASH: splash10-0006-9310000000-008b033dbb49f6a642ca
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  35 3.1 31
  37 1.8 18
  38 1 10
  42 0.3 3
  43 99.99 999
  44 2.5 25
  49 1 10
  60 0.14 1
  61 6.1 61
  62 9.2 92
  63 1.5 15
  72 0.22 2
  73 3.4 34
  74 2.2 22
  83 2.1 21
  84 0.11 1
  85 1.3 13
  96 2.3 23
  97 13.2 132
  98 0.12 1
  99 4.2 42
  107 3.5 35
  108 1.1 11
  109 0.28 3
  132 2.2 22
  133 4.3 43
  134 1.8 18
  135 0.26 3
  160 2.2 22
  162 2 20
  167 5.1 51
  169 0.46 5
  171 1.2 12
  196 33.4 334
  197 2.7 27
  198 3.25 33
  199 2.3 23
  200 10.2 102
  202 1 10
  238 0.68 7
  240 6.6 66
  242 2.1 21
//
