ACCESSION: MSBNK-Waters-WA002125
RECORD_TITLE: 8-Hydroxyamoxapine; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-000i-0091000000-1ed7051bb564a320f0d0
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  109 47 47
  120 12 12
  134 12 12
  135 71 71
  205 16 16
  207 12 12
  209 396 396
  210 43 43
  216 31 31
  217 16 16
  218 24 24
  219 12 12
  221 16 16
  223 20 20
  224 16 16
  225 12 12
  231 24 24
  233 12 12
  242 16 16
  243 12 12
  244 161 161
  245 24 24
  246 86 86
  247 12 12
  248 12 12
  250 16 16
  251 24 24
  252 12 12
  257 20 20
  258 12 12
  259 118 118
  260 24 24
  261 176 176
  262 20 20
  263 47 47
  270 12 12
  285 63 63
  287 999 999
  288 114 114
  289 345 345
  290 39 39
  313 172 172
  314 24 24
  315 71 71
  330 125 125
  331 20 20
  332 43 43
//