ACCESSION: MSBNK-Waters-WA002124
RECORD_TITLE: 8-Hydroxyamoxapine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 8-Hydroxyamoxapine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₆ClN₃O₂
CH$EXACT_MASS: 329.09310
CH$SMILES: Oc(c4)cc(N=1)c(c4)Oc(c3)c(cc(Cl)c3)C1N(C2)CCNC2
CH$IUPAC: InChI=1S/C17H16ClN3O2/c18-11-1-3-15-13(9-11)17(21-7-5-19-6-8-21)20-14-10-12(22)2-4-16(14)23-15/h1-4,9-10,19,22H,5-8H2
CH$LINK: CAS 61443-78-5
CH$LINK: INCHIKEY QDWNOKXUZTYVGO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40210388

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 12.600 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$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4i-0190000000-31788d9243884d301471
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  109 27 27
  120 24 24
  134 31 31
  135 55 55
  153 67 67
  180 47 47
  181 51 51
  182 16 16
  183 16 16
  188 24 24
  189 24 24
  190 12 12
  191 12 12
  193 12 12
  195 12 12
  196 16 16
  198 12 12
  204 12 12
  205 31 31
  206 16 16
  207 20 20
  209 999 999
  210 86 86
  211 16 16
  216 63 63
  217 27 27
  218 35 35
  219 20 20
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  221 16 16
  222 12 12
  223 31 31
  224 20 20
  231 35 35
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  242 20 20
  243 16 16
  244 121 121
  245 27 27
  246 59 59
  250 31 31
  251 31 31
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  260 20 20
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  271 12 12
  285 51 51
  287 290 290
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  313 47 47
  315 16 16
  330 90 90
  331 16 16
  332 27 27
//