ACCESSION: MSBNK-Waters-WA001136
RECORD_TITLE: Clozapine; 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$NAME: Clozapine
CH$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 60 V

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

PK$SPLASH: splash10-00di-0190000000-ea93a323a8bddb5e7ca4
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  101 16 16
  102 16 16
  113 8 8
  117 12 12
  124 12 12
  130 8 8
  131 12 12
  133 102 102
  145 12 12
  154 8 8
  155 8 8
  167 8 8
  175 24 24
  177 47 47
  192 86 86
  193 12 12
  198 8 8
  203 8 8
  208 39 39
  209 8 8
  216 8 8
  220 8 8
  221 24 24
  227 121 121
  228 31 31
  229 63 63
  230 12 12
  231 8 8
  235 8 8
  241 12 12
  243 223 223
  244 27 27
  245 74 74
  246 12 12
  253 16 16
  254 8 8
  255 20 20
  256 35 35
  257 8 8
  258 12 12
  259 8 8
  265 8 8
  268 16 16
  270 999 999
  271 141 141
  272 345 345
  273 47 47
  286 8 8
  296 129 129
  297 24 24
  298 43 43
  299 8 8
  327 47 47
  328 12 12
  329 20 20
//