ACCESSION: MSBNK-Waters-WA000534
RECORD_TITLE: Risperidone; LC-ESI-Q; MS; POS; 90 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 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
//