MassBank Record: WA000534



 Risperidone; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000534
RECORD_TITLE: Risperidone; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Risperidone CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H27FN4O2 CH$EXACT_MASS: 410.21180 CH$SMILES: Fc(c5)cc(o4)c(c5)c(n4)C(C3)CCN(C3)CCC(=C(C)1)C(=O)N(C2)C(CCC2)=N1 CH$IUPAC: InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 CH$LINK: CAS 106266-06-2 CH$LINK: INCHIKEY RAPZEAPATHNIPO-UHFFFAOYSA-N
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 12.620 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$SPLASH: splash10-0006-0900000000-1a9ad384057119daaca6 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 107 24 24 108 8 8 110 411 411 111 16 16 123 20 20 125 12 12 148 35 35 150 27 27 163 82 82 191 999 999 192 251 251 193 16 16 411 12 12 //