MassBank Record: MSBNK-Waters-WA002126
ACCESSION: MSBNK-Waters-WA002126
RECORD_TITLE: 8-Hydroxyamoxapine; LC-ESI-Q; MS; POS; 60 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0094000000-12bfbb2bab9ca1a75aaf
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
109 16 16
209 20 20
244 31 31
246 24 24
259 16 16
261 219 219
262 20 20
263 78 78
285 20 20
287 999 999
288 121 121
289 341 341
290 43 43
313 141 141
314 20 20
315 51 51
330 447 447
331 63 63
332 172 172
333 24 24
//
system version 2.2.6-SNAPSHOT