ACCESSION: MSBNK-Waters-WA001137
RECORD_TITLE: Clozapine; 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$NAME: Clozapine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₉ClN₄
CH$EXACT_MASS: 326.12982
CH$SMILES: CN(C4)CCN(C4)C(=N1)c(c3)c(ccc3)Nc(c2)c(cc(Cl)c2)1
CH$IUPAC: InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
CH$LINK: CAS 5786-21-0
CH$LINK: INCHIKEY QZUDBNBUXVUHMW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5022855

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 13.800 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$SPLASH: splash10-00fr-0093000000-768481e6cd721e389a9d
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  133 16 16
  158 24 24
  177 8 8
  221 8 8
  227 12 12
  228 24 24
  229 12 12
  230 12 12
  243 329 329
  244 47 47
  245 118 118
  246 16 16
  252 16 16
  256 8 8
  257 8 8
  268 12 12
  270 999 999
  271 137 137
  272 345 345
  273 51 51
  286 8 8
  296 67 67
  297 8 8
  298 24 24
  325 16 16
  326 8 8
  327 607 607
  328 114 114
  329 208 208
  330 31 31
  341 8 8
  343 12 12
//