ACCESSION: MSBNK-Waters-WA001570
RECORD_TITLE: Colchicine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0udi-0002900000-ce13ba14ad218762e4f5
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  234 8 8
  281 8 8
  282 20 20
  285 8 8
  298 12 12
  299 8 8
  309 16 16
  310 31 31
  311 12 12
  313 27 27
  326 39 39
  327 12 12
  340 12 12
  341 67 67
  342 12 12
  358 94 94
  359 16 16
  368 16 16
  382 47 47
  383 12 12
  386 20 20
  394 8 8
  400 999 999
  401 188 188
  402 27 27
  422 125 125
  423 24 24
  438 47 47
  439 8 8
//