ACCESSION: MSBNK-Waters-WA001131
RECORD_TITLE: Clozapine N-oxide; 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$NAME: Clozapine N-oxide
CH$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 45 V

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

PK$SPLASH: splash10-0006-0194000000-015f7cf3a7b4a862690b
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  100 47 47
  101 129 129
  117 24 24
  125 8 8
  127 12 12
  131 12 12
  133 43 43
  140 8 8
  145 12 12
  146 8 8
  159 20 20
  172 16 16
  173 16 16
  175 8 8
  177 35 35
  181 35 35
  192 8 8
  198 8 8
  199 20 20
  203 8 8
  208 31 31
  215 102 102
  216 20 20
  217 39 39
  218 12 12
  221 35 35
  227 74 74
  228 51 51
  229 35 35
  230 24 24
  231 8 8
  234 8 8
  235 8 8
  236 8 8
  239 43 43
  241 27 27
  242 12 12
  243 682 682
  244 345 345
  245 404 404
  246 125 125
  247 55 55
  248 31 31
  249 8 8
  252 8 8
  253 20 20
  255 51 51
  256 454 454
  257 98 98
  258 165 165
  259 31 31
  262 8 8
  263 31 31
  265 39 39
  266 12 12
  268 165 165
  269 43 43
  270 98 98
  271 51 51
  272 20 20
  273 24 24
  274 12 12
  282 63 63
  283 27 27
  284 35 35
  285 16 16
  286 27 27
  288 12 12
  294 8 8
  296 86 86
  297 20 20
  298 24 24
  299 266 266
  300 39 39
  301 78 78
  302 16 16
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  309 12 12
  312 31 31
  313 16 16
  314 12 12
  320 8 8
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  326 74 74
  327 55 55
  328 20 20
  341 27 27
  342 12 12
  343 999 999
  344 180 180
  345 353 353
  346 47 47
  347 12 12
  359 20 20
  361 8 8
  365 16 16
  367 8 8
  375 8 8
  381 8 8
  389 12 12
//