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MassBank Record: WA002130

Amoxapine; LC-ESI-Q; MS; POS; 75 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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
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  207 16 16
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  235 31 31
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  245 121 121
  246 27 27
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  256 16 16
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  269 90 90
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  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
//

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