MassBank Record: WA002617



 Oxybutynin; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002617
RECORD_TITLE: Oxybutynin; LC-ESI-Q; MS; POS; 75 V, 90 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$NAME: Oxybutynin CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H31NO3 CH$EXACT_MASS: 357.23039 CH$SMILES: CCN(CC)CC#CCOC(=O)C(O)(C(C2)CCCC2)c(c1)cccc1 CH$IUPAC: InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3 CH$LINK: CAS 5633-20-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.200 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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0900000000-2dec6344f914a4eeff46 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 100 20 20 103 24 24 105 999 999 106 12 12 107 654 654 108 227 227 109 98 98 110 20 20 115 35 35 117 59 59 118 74 74 121 16 16 122 59 59 124 145 145 125 20 20 127 12 12 128 43 43 129 329 329 130 31 31 133 27 27 142 595 595 143 102 102 155 20 20 157 31 31 166 12 12 171 71 71 183 12 12 184 16 16 189 43 43 199 24 24 340 12 12 358 125 125 359 27 27 //