MassBank Record: WA001969



 Betaxolol; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001969
RECORD_TITLE: Betaxolol; LC-ESI-Q; MS; POS; 60 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$NAME: Betaxolol CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H29NO3 CH$EXACT_MASS: 307.21474 CH$SMILES: CC(C)NCC(O)COc(c1)ccc(CCOCC(C2)C2)c1 CH$IUPAC: InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3 CH$LINK: CAS 63659-18-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.660 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-06di-0901000000-7bbba3bb0ac7c149850c PK$NUM_PEAK: 68 PK$PEAK: m/z int. rel.int. 100 20 20 103 27 27 105 188 188 107 59 59 110 71 71 113 8 8 114 8 8 115 20 20 116 999 999 117 94 94 118 8 8 119 74 74 121 513 513 122 35 35 128 43 43 129 55 55 131 125 125 132 8 8 133 309 309 134 24 24 135 43 43 141 24 24 143 35 35 144 43 43 145 59 59 146 12 12 147 74 74 148 27 27 149 12 12 151 63 63 152 8 8 157 24 24 159 219 219 160 20 20 161 149 149 162 20 20 163 27 27 165 16 16 169 8 8 170 8 8 171 27 27 172 16 16 173 8 8 174 8 8 175 43 43 176 20 20 177 165 165 178 16 16 183 8 8 184 8 8 185 24 24 187 20 20 189 31 31 194 8 8 201 8 8 203 16 16 205 8 8 212 31 31 213 16 16 218 12 12 231 31 31 236 8 8 254 20 20 266 27 27 308 556 556 309 98 98 310 8 8 330 12 12 //