MassBank Record: MSBNK-Waters-WA002089
ACCESSION: MSBNK-Waters-WA002089
RECORD_TITLE: Loxapine-7-methoxy; 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$NAME: Loxapine-7-methoxy
CH$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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0009000000-956d6e73bd43964674f5
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
149 12 12
223 12 12
258 35 35
260 20 20
269 12 12
286 24 24
301 999 999
302 145 145
303 349 349
304 51 51
327 114 114
328 16 16
329 39 39
358 165 165
359 27 27
360 59 59
361 12 12
//