MassBank Record: MSBNK-Waters-WA001131
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
307 8 8
309 12 12
312 31 31
313 16 16
314 12 12
320 8 8
323 8 8
325 125 125
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
//