ACCESSION: MSBNK-Waters-WA000535
RECORD_TITLE: Risperidone; 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$NAME: Risperidone
CH$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
CH$LINK: COMPTOX DTXSID8045193

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 75 V

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

PK$SPLASH: splash10-0006-0900000000-8ba241438e1df471681d
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  110 82 82
  148 12 12
  163 24 24
  191 999 999
  192 329 329
  193 16 16
  411 43 43
  412 8 8
//