ACCESSION: MSBNK-Waters-WA001569
RECORD_TITLE: Colchicine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Colchicine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₅NO₆
CH$EXACT_MASS: 399.16819
CH$SMILES: COC(=C3)C(=O)C=C(C(NC(C)=O)2)C(=C3)c(c(CC2)1)c(OC)c(OC)c(OC)c1
CH$IUPAC: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
CH$LINK: CAS 64-86-8
CH$LINK: INCHIKEY IAKHMKGGTNLKSZ-INIZCTEOSA-N
CH$LINK: COMPTOX DTXSID5024845

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 13.330 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0w29-0079400000-7738289ad27738c75afe
PK$NUM_PEAK: 164
PK$PEAK: m/z int. rel.int.
  100 16 16
  137 27 27
  151 16 16
  152 16 16
  155 8 8
  160 8 8
  165 16 16
  166 8 8
  173 8 8
  174 8 8
  175 8 8
  176 16 16
  177 8 8
  178 8 8
  181 39 39
  188 12 12
  190 12 12
  191 8 8
  193 12 12
  202 8 8
  203 20 20
  204 12 12
  205 27 27
  206 8 8
  207 27 27
  209 8 8
  219 27 27
  220 20 20
  221 8 8
  222 16 16
  223 8 8
  224 8 8
  225 8 8
  226 8 8
  227 8 8
  231 12 12
  233 8 8
  234 94 94
  235 31 31
  236 12 12
  237 16 16
  238 16 16
  239 24 24
  240 20 20
  241 12 12
  242 24 24
  245 12 12
  246 12 12
  247 8 8
  248 12 12
  249 27 27
  250 27 27
  251 47 47
  252 35 35
  253 31 31
  254 24 24
  255 39 39
  256 20 20
  257 16 16
  258 16 16
  261 8 8
  262 12 12
  263 31 31
  264 16 16
  265 27 27
  266 51 51
  267 121 121
  268 55 55
  269 31 31
  270 59 59
  271 20 20
  272 16 16
  273 20 20
  275 8 8
  276 16 16
  277 47 47
  278 102 102
  279 71 71
  280 35 35
  281 86 86
  282 364 364
  283 141 141
  284 59 59
  285 180 180
  286 51 51
  287 27 27
  288 8 8
  289 8 8
  291 8 8
  292 24 24
  293 35 35
  294 86 86
  295 212 212
  296 63 63
  297 55 55
  298 219 219
  299 86 86
  300 55 55
  301 47 47
  302 31 31
  303 8 8
  306 8 8
  307 12 12
  308 35 35
  309 176 176
  310 454 454
  311 231 231
  312 51 51
  313 176 176
  314 71 71
  315 31 31
  316 51 51
  317 12 12
  320 12 12
  322 8 8
  323 31 31
  324 43 43
  325 39 39
  326 384 384
  327 86 86
  328 74 74
  329 43 43
  330 43 43
  331 8 8
  335 8 8
  336 12 12
  338 8 8
  339 39 39
  340 121 121
  341 302 302
  342 98 98
  343 55 55
  344 12 12
  350 16 16
  351 12 12
  352 24 24
  353 12 12
  354 24 24
  357 12 12
  358 462 462
  359 86 86
  360 12 12
  367 59 59
  368 51 51
  369 12 12
  370 8 8
  382 153 153
  383 43 43
  384 12 12
  386 20 20
  394 39 39
  395 12 12
  400 999 999
  401 180 180
  402 27 27
  406 8 8
  408 8 8
  422 498 498
  423 102 102
  424 16 16
  438 110 110
  439 27 27
  440 12 12
  463 8 8
//