MassBank Record: MSBNK-Waters-WA000534
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
//