MassBank Record: KZ000091



 Pentachlorophenol; GC-EI-TOF; MS; 1 TMS; BP:93 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000091
RECORD_TITLE: Pentachlorophenol; GC-EI-TOF; MS; 1 TMS; BP:93
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, 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 //

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