MassBank Record: WA001031



 7-Hydroxyrisperidone; LC-ESI-Q; MS; POS; 15 V, 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001031
RECORD_TITLE: 7-Hydroxyrisperidone; LC-ESI-Q; MS; POS; 15 V, 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: 7-Hydroxyrisperidone CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H27FN4O3 CH$EXACT_MASS: 426.20672 CH$SMILES: OC(C5)CN(C(C5)=1)C(=O)C(CCN(C4)CCC(C4)c(n2)c(c3)c(cc(F)c3)o2)=C(C)N1 CH$IUPAC: InChI=1S/C23H27FN4O3/c1-14-18(23(30)28-13-17(29)3-5-21(28)25-14)8-11-27-9-6-15(7-10-27)22-19-4-2-16(24)12-20(19)31-26-22/h2,4,12,15,17,29H,3,5-11,13H2,1H3 CH$LINK: CAS 147663-04-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.360 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V, 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0000900000-054bc6567548ba028c90 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 425 8 8 427 999 999 428 161 161 429 20 20 //