ACCESSION: MSBNK-Waters-WA002129
RECORD_TITLE: Amoxapine; LC-ESI-Q; MS; POS; 90 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 90 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0006-0980000000-ddef75b9394746963c49
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  104 27 27
  118 39 39
  119 39 39
  164 129 129
  165 31 31
  167 16 16
  173 12 12
  180 16 16
  181 12 12
  193 999 999
  194 121 121
  195 12 12
  200 71 71
  201 12 12
  202 27 27
  205 12 12
  206 16 16
  207 31 31
  208 27 27
  209 20 20
  210 20 20
  219 12 12
  220 27 27
  221 12 12
  228 153 153
  229 12 12
  230 78 78
  231 12 12
  233 16 16
  235 43 43
  236 12 12
  241 12 12
  244 20 20
  245 24 24
  246 12 12
  247 12 12
  254 27 27
  256 16 16
  269 63 63
  271 321 321
  272 47 47
  273 110 110
  274 12 12
  297 51 51
  299 16 16
  314 59 59
  316 20 20
//