ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000009
RECORD_TITLE: 2,4,5-TRICHLOROPHENOL; 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$NAME: 2,4,5-TRICHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H3Cl3O
CH$EXACT_MASS: 195.92495
CH$SMILES: Oc(c1)c(Cl)cc(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
CH$LINK: INCHIKEY LHJGJYXLEPZJPM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4024359
AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0002-7900000000-1ad962df00ced72b9a73
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  51 2.58 26
  53 14.73 147
  59 2.03 20
  60 12.75 128
  61 30.62 306
  62 36.79 368
  63 19.11 191
  64 2.15 22
  65 5.23 52
  66 13.42 134
  67 7.46 75
  69 2.46 25
  71 6.55 66
  72 13.85 139
  73 16.02 160
  74 7.55 76
  75 4.47 45
  79 2.34 23
  80 8.06 81
  81 5.21 52
  82 3.22 32
  83 7.1 71
  84 6.05 61
  85 6.38 64
  86 2.53 25
  87 3.44 34
  89 1.93 19
  95 3.8 38
  96 33.63 336
  97 67.27 673
  98 25.02 250
  99 31.7 317
  100 5.86 59
  106 2.03 20
  107 8.66 87
  108 3.94 39
  109 6.55 66
  131 12.51 125
  132 48.06 481
  133 32 320
  134 33.42 334
  135 18.37 184
  136 6.55 66
  137 2.96 30
  149 6.48 65
  151 3.39 34
  160 10.69 107
  161 4.76 48
  162 10.76 108
  163 3.58 36
  164 3.61 36
  167 4.06 41
  169 3.89 39
  177 4.76 48
  179 2.94 29
  192 6.69 67
  194 4.64 46
  195 6.79 68
  196 99.99 999
  197 11.45 115
  198 92.58 926
  199 7.82 78
  200 29.54 295
  201 2.08 21
  202 3.15 32
//
