ACCESSION: MSBNK-Kazusa-KZ000091
RECORD_TITLE: Pentachlorophenol; GC-EI-TOF; MS; 1 TMS; BP:93
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01639_P000158

CH$NAME: Pentachlorophenol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆HCl₅O
CH$EXACT_MASS: 263.84700
CH$SMILES: Oc(c(Cl)1)c(Cl)c(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
CH$LINK: CAS 87-86-5
CH$LINK: KEGG C02575
CH$LINK: INCHIKEY IZUPBVBPLAPZRR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021106

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2064.9
AC$CHROMATOGRAPHY: RETENTION_TIME 953.512 sec

MS$FOCUSED_ION: BASE_PEAK 93
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-006x-8219000000-8910acf1ed3be43cd77b
PK$NUM_PEAK: 182
PK$PEAK: m/z int. rel.int.
  82 6 6
  83 12 12
  84 5 5
  85 11 11
  86 5 5
  87 17 17
  88 5 5
  89 16 16
  90 4 4
  91 2 2
  92 18 18
  93 999 999
  94 49 49
  95 411 411
  96 38 38
  97 44 44
  98 15 15
  99 21 21
  100 4 4
  101 26 26
  102 6 6
  103 1 1
  104 6 6
  106 6 6
  107 18 18
  109 17 17
  111 7 7
  112 3 3
  113 49 49
  114 6 6
  115 33 33
  117 8 8
  118 7 7
  119 1 1
  120 4 4
  121 1 1
  122 3 3
  123 3 3
  124 1 1
  125 5 5
  126 5 5
  128 2 2
  129 1 1
  130 16 16
  133 3 3
  134 12 12
  135 26 26
  137 12 12
  139 2 2
  141 6 6
  142 9 9
  143 15 15
  145 10 10
  146 2 2
  147 12 12
  148 1 1
  150 1 1
  151 1 1
  154 1 1
  155 2 2
  158 3 3
  159 3 3
  160 3 3
  161 4 4
  162 3 3
  163 1 1
  164 2 2
  167 41 41
  168 6 6
  169 32 32
  170 2 2
  171 8 8
  172 3 3
  173 4 4
  174 1 1
  175 2 2
  177 5 5
  181 4 4
  182 1 1
  184 1 1
  188 2 2
  189 1 1
  190 1 1
  191 6 6
  192 2 2
  193 6 6
  195 1 1
  198 2 2
  200 8 8
  201 1 1
  202 6 6
  203 3 3
  204 3 3
  205 2 2
  206 1 1
  212 3 3
  214 3 3
  215 17 17
  216 4 4
  217 11 11
  218 2 2
  219 3 3
  220 2 2
  223 1 1
  228 7 7
  229 18 18
  230 1 1
  231 16 16
  232 5 5
  233 3 3
  234 2 2
  235 6 6
  237 14 14
  239 17 17
  241 6 6
  243 3 3
  247 1 1
  248 1 1
  249 3 3
  250 7 7
  251 15 15
  252 10 10
  253 15 15
  254 5 5
  255 5 5
  256 4 4
  257 2 2
  259 1 1
  260 1 1
  261 1 1
  263 1 1
  264 7 7
  265 2 2
  266 7 7
  267 6 6
  268 6 6
  269 2 2
  270 2 2
  275 1 1
  276 1 1
  285 11 11
  286 21 21
  287 18 18
  288 23 23
  289 16 16
  290 10 10
  291 11 11
  292 7 7
  293 3 3
  294 2 2
  295 1 1
  297 1 1
  301 1 1
  302 1 1
  303 2 2
  305 2 2
  308 2 2
  309 1 1
  311 1 1
  315 1 1
  320 7 7
  321 268 268
  322 37 37
  323 510 510
  324 65 65
  325 346 346
  326 48 48
  327 142 142
  328 16 16
  329 26 26
  330 2 2
  331 3 3
  333 1 1
  336 70 70
  337 4 4
  338 123 123
  339 16 16
  340 92 92
  341 9 9
  342 28 28
  343 3 3
  344 7 7
//