MassBank Record: MSBNK-Waters-WA002131
ACCESSION: MSBNK-Waters-WA002131
RECORD_TITLE: Amoxapine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.10.25)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Amoxapine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H16ClN3O
CH$EXACT_MASS: 313.09819
CH$SMILES: Clc(c4)cc(c(c4)2)C(=Nc(c3)c(ccc3)O2)N(C1)CCNC1
CH$IUPAC: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
CH$LINK: CAS
14028-44-5
CH$LINK: INCHIKEY
QWGDMFLQWFTERH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7022598
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.940 min
AC$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$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0092000000-e2b1080968dba3b49346
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
193 20 20
228 39 39
230 27 27
245 192 192
246 20 20
247 67 67
269 24 24
271 999 999
272 133 133
273 349 349
274 35 35
297 141 141
298 20 20
299 51 51
314 321 321
315 51 51
316 121 121
317 12 12
//