MassBank Record: WA002983



 Buspirone; 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: WA002983
RECORD_TITLE: Buspirone; 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$NAME: Buspirone CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H31N5O2 CH$EXACT_MASS: 385.24778 CH$SMILES: c(c4)cnc(n4)N(C1)CCN(CCCCN(C(=O)2)C(=O)CC(C3)(CCC3)C2)C1 CH$IUPAC: InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2 CH$LINK: CAS 36505-84-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.830 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: splash10-000i-0009000000-ed12ec057b0c8a8a17c3 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 150 6 6 219 35 35 386 999 999 387 212 212 388 24 24 //