MassBank Record: MSBNK-Waters-WA002130
ACCESSION: MSBNK-Waters-WA002130
RECORD_TITLE: Amoxapine; LC-ESI-Q; MS; POS; 75 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 75 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0190000000-579703b81465839c2b4a
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
104 12 12
118 20 20
119 47 47
164 24 24
193 392 392
194 51 51
200 27 27
202 12 12
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208 16 16
209 12 12
210 16 16
220 16 16
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231 12 12
233 12 12
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244 16 16
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256 16 16
261 12 12
269 90 90
271 999 999
272 133 133
273 345 345
274 39 39
297 172 172
298 24 24
299 59 59
314 98 98
315 12 12
316 35 35
//