ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000010
RECORD_TITLE: 2,4,6-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$NAME: 2,4,6-TRICHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₃Cl₃O
CH$EXACT_MASS: 195.92495
CH$SMILES: Clc(c1)cc(Cl)c(O)c(Cl)1
CH$IUPAC: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
CH$LINK: INCHIKEY LINPIYWFGCPVIE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021386

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$SPLASH: splash10-0002-7900000000-85483ea8168873178de9
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  53 14.63 146
  55 2.49 25
  57 2.2 22
  60 12.21 122
  61 32.06 321
  62 42.22 422
  63 36.9 369
  64 4.32 43
  65 8.43 84
  66 23 230
  67 12.65 127
  68 2.71 27
  71 6.78 68
  72 13.68 137
  73 17.64 176
  74 8.84 88
  75 5.57 56
  80 9.94 99
  81 8.84 88
  82 4.21 42
  83 8.62 86
  84 6.16 62
  85 5.83 58
  87 3.92 39
  89 2.2 22
  90 2.89 29
  91 2.09 21
  95 4.84 48
  96 34.11 341
  97 70.76 708
  98 39.72 397
  99 38.18 382
  100 10.63 106
  101 2.64 26
  106 2.45 25
  107 9.09 91
  108 3.77 38
  109 7.22 72
  111 2.23 22
  125 3.44 34
  126 8.91 89
  127 2.05 21
  128 3.52 35
  131 18.48 185
  132 57.96 580
  133 22.12 221
  134 40.71 407
  135 10.45 105
  136 7.81 78
  160 31.84 318
  161 5.2 52
  162 50.47 505
  163 5.2 52
  164 22.81 228
  166 5.57 56
  167 4.1 41
  168 2.56 26
  169 3.63 36
  195 3.59 36
  196 99.99 999
  197 9.68 97
  198 91.34 913
  199 7.07 71
  200 28.42 284
  201 2.09 21
  202 3.04 30
//