MassBank Record: MSBNK-Waters-WA002088
ACCESSION: MSBNK-Waters-WA002088
RECORD_TITLE: Loxapine-7-methoxy; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Loxapine-7-methoxy
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H20ClN3O2
CH$EXACT_MASS: 357.12440
CH$SMILES: COc(c4)cc(O1)c(c4)N=C(N(C3)CCN(C)C3)c(c2)c(ccc(Cl)2)1
CH$IUPAC: InChI=1S/C19H20ClN3O2/c1-22-7-9-23(10-8-22)19-15-11-13(20)3-6-17(15)25-18-12-14(24-2)4-5-16(18)21-19/h3-6,11-12H,7-10H2,1-2H3
CH$LINK: INCHIKEY
RQVJIDOFDAAWDW-UHFFFAOYSA-N
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.770 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0069000000-121f415992b59e455287
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
134 12 12
149 86 86
208 27 27
223 215 215
224 27 27
229 106 106
230 51 51
231 39 39
232 20 20
242 12 12
243 27 27
255 39 39
256 16 16
257 39 39
258 294 294
259 43 43
260 125 125
261 16 16
262 12 12
269 71 71
270 12 12
271 31 31
274 12 12
284 59 59
286 110 110
287 20 20
288 27 27
295 12 12
299 16 16
301 999 999
302 149 149
303 357 357
304 43 43
312 24 24
327 192 192
328 31 31
329 67 67
358 47 47
360 16 16
//