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MassBank Record: WA001133

Clozapine N-oxide; LC-ESI-Q; MS; POS; 15 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001133
RECORD_TITLE: Clozapine N-oxide; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Clozapine N-oxide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H19ClN4O
CH$EXACT_MASS: 342.12474
CH$SMILES: Clc(c4)cc(N=1)c(c4)Nc(c3)c(ccc3)C1N(C2)CC[N+1](C)([O-1])C2
CH$IUPAC: InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)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$LINK: CAS 34233-69-7
CH$LINK: INCHIKEY OGUCZBIQSYYWEF-UHFFFAOYSA-N

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 13.900 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 15 V

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

PK$SPLASH: splash10-0006-0009000000-ebf53afeef5c18dc0611
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  117 8 8
  243 8 8
  265 24 24
  266 8 8
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  326 12 12
  341 27 27
  342 12 12
  343 999 999
  344 168 168
  345 317 317
  346 51 51
  347 8 8
  357 8 8
  359 16 16
  361 8 8
  365 8 8
  375 43 43
  376 12 12
  377 16 16
  381 8 8
//

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