ACCESSION: MSBNK-Waters-WA002127
RECORD_TITLE: 8-Hydroxyamoxapine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-001i-0029000000-5810deff7cda2952e5b2
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  261 71 71
  263 20 20
  287 243 243
  288 27 27
  289 86 86
  313 20 20
  330 999 999
  331 161 161
  332 337 337
  333 43 43
  344 12 12
//