MassBank Record: MSBNK-Waters-WA002132
ACCESSION: MSBNK-Waters-WA002132
RECORD_TITLE: Amoxapine; LC-ESI-Q; MS; POS; 45 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 45 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03xr-0039000000-9c00186aadca8933ba13
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
245 78 78
247 27 27
271 329 329
272 39 39
273 114 114
297 31 31
299 12 12
314 999 999
315 157 157
316 357 357
317 47 47
//
system version 2.2.6-SNAPSHOT